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tert-butyl (2S)-2-carbamoylpiperidine-1-carboxylate
tert-butyl (2S)-2-carbamoylpiperidine-1-carboxylate ID: AN-10048
CAS:78058-41-0
Supplier:AN PharmaTech Co Ltd

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SMILES:O(C(=O)N1[C@@H](CCCC1)C(=O)N)C(C)(C)C	2756821
FORMULA: C11H20N2O3
MASS: 228.2881
EXACT MASS: 228.1473925
INTERATOMIC DISTANCES

              O   1      O   2      O   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7320     0.0000 
   O   3    2.6457     1.0000     0.0000 
   N   4    1.7320     1.7320     2.0000     0.0000 
   N   5    4.0000     2.6458     1.7321     2.6458     0.0000 
   C   6    2.6457     2.0000     1.7320     1.0000     1.7321     0.0000 
   C   7    3.4641     3.0000     2.6457     1.7320     2.0000     1.0000 
   C   8    3.6055     3.6055     3.4641     2.0000     3.0000     1.7320 
   C   9    3.0000     3.4641     3.6055     1.7320     3.6055     2.0000 
   C  10    2.0000     2.6457     2.9999     1.0000     3.4641     1.7320 
   C  11    1.0000     1.0000     1.7320     1.0000     3.0000     1.7320 
   C  12    2.9999     1.7320     1.0000     1.7320     1.0001     1.0000 
   C  13    1.0000     2.0000     2.9999     2.6457     4.5826     3.4641 
   C  14    2.0000     2.6457     3.6055     3.6055     5.2915     4.3589 
   C  15    1.4142     2.9093     3.8982     3.1196     5.3785     4.0576 
   C  16    1.4142     1.2393     2.1917     2.5036     3.8822     3.0880 
   H  17    2.2145     1.3800     1.2346     0.8743     1.8397     0.6200 
   H  18    4.0761     3.5889     3.1512     2.3451     2.1943     1.5967 
   H  19    3.7220     2.9561     2.4059     2.0295     1.4332     1.0812 
   H  20    4.0024     4.1713     4.0761     2.5069     3.5889     2.3451 
   H  21    4.1713     4.0024     3.7221     2.5069     2.9562     2.0296 
   H  22    2.9561     3.7220     4.0023     2.0295     4.1713     2.5068 
   H  23    3.5889     4.0761     4.1712     2.3451     4.0024     2.5068 
   H  24    1.4332     2.4059     2.9561     1.0813     3.7221     2.0295 
   H  25    2.1944     3.1512     3.5888     1.5968     4.0761     2.3451 
   H  26    1.0698     0.8248     1.8243     1.8848     3.4258     2.4900 
   H  27    1.9038     1.0063     1.7907     2.6112     3.5215     3.0021 
   H  28    1.9038     1.7777     2.6548     3.1229     4.3791     3.6933 
   H  29    1.9038     3.1762     4.1761     3.6354     5.7474     4.5352 
   H  30    1.9038     3.4980     4.4768     3.5256     5.9032     4.4984 
   H  31    1.0698     2.7583     3.7041     2.6488     5.0589     3.6233 
   H  32    2.0939     2.2883     3.1879     3.5086     4.9080     4.1517 
   H  33    2.6200     3.1407     4.0600     4.2100     5.7745     4.9340 
   H  34    2.0939     3.0874     4.0750     3.8024     5.7166     4.6402 
   H  35    4.3433     2.8292     1.8397     3.1408     0.6200     2.2901 
   H  36    4.3433     3.1408     2.2901     2.8292     0.6200     1.8397 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    1.7320     1.0000     0.0000 
   C  10    2.0000     1.7320     1.0000     0.0000 
   C  11    2.6457     3.0000     2.6457     1.7320     0.0000 
   C  12    1.7320     2.6457     2.9999     2.6457     2.0000     0.0000 
   C  13    4.3589     4.5826     4.0000     3.0000     1.7320     3.6055 
   C  14    5.2915     5.5678     5.0000     4.0000     2.6457     4.3589 
   C  15    4.8439     4.8715     4.1231     3.1623     2.3942     4.3813 
   C  16    4.0664     4.5020     4.1231     3.1623     1.5060     2.9671 
   H  17    1.6200     2.2901     2.3715     1.8396     1.2346     0.8743 
   H  18    0.6200     1.0813     2.0295     2.5068     3.2657     2.1828 
   H  19    0.6200     1.5968     2.3451     2.5068     2.8113     1.4155 
   H  20    1.5967     0.6200     1.0813     2.0296     3.4978     3.2657 
   H  21    1.0813     0.6200     1.5967     2.3451     3.4978     2.8114 
   H  22    2.3451     1.5968     0.6200     1.0812     2.8113     3.4977 
   H  23    2.0295     1.0813     0.6200     1.5967     3.2657     3.4977 
   H  24    2.5068     2.3451     1.5967     0.6200     1.4156     2.8113 
   H  25    2.5068     2.0295     1.0812     0.6200     2.1829     3.2656 
   H  26    3.4584     3.8823     3.5248     2.5815     0.8901     2.4674 
   H  27    4.0016     4.5627     4.3156     3.4095     1.6788     2.6845 
   H  28    4.6776     5.1218     4.7270     3.7556     2.1242     3.5054 
   H  29    5.3673     5.4494     4.7270     3.7556     2.8242     4.7624 
   H  30    5.2188     5.1410     4.3156     3.4095     2.9035     4.9032 
   H  31    4.3461     4.3054     3.5248     2.5815     2.0631     4.0596 
   H  32    5.1222     5.5055     5.0383     4.0478     2.5121     4.0203 
   H  33    5.8808     6.1810     5.6200     4.6200     3.2380     4.8707 
   H  34    5.5256     5.6972     5.0383     4.0478     2.9083     4.7545 
   H  35    2.6200     3.6200     4.2100     4.0130     3.3533     1.4158 
   H  36    1.7733     2.7431     3.4849     3.5191     3.3533     1.4158 

              C  13      C  14      C  15      C  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0000     0.0000 
   C  15    1.0000     1.4142     0.0000 
   C  16    1.0000     1.4142     2.0000     0.0000 
   H  17    2.9435     3.7979     3.6233     2.4900     0.0000 
   H  18    4.9779     5.9114     5.4468     4.6788     2.2128     0.0000 
   H  19    4.5429     5.4242     5.1306     4.1174     1.6309     0.7971 
   H  20    4.9969     5.9933     5.1869     5.0034     2.8867     1.5278 
   H  21    5.1332     6.1073     5.4661     4.9820     2.6368     0.7848 
   H  22    3.9399     4.9303     3.9117     4.2124     2.7883     2.6463 
   H  23    4.5875     5.5866     4.6498     4.7402     2.9379     2.1562 
   H  24    2.4267     3.4240     2.5426     2.7043     1.9445     3.0557 
   H  25    3.1671     4.1528     3.1320     3.5003     2.4530     2.9499 
   H  26    1.1766     1.9038     2.0939     0.6200     1.9062     4.0735 
   H  27    1.6200     1.9038     2.6200     0.6200     2.3826     4.5940 
   H  28    1.1766     1.0698     2.0939     0.6200     3.0880     5.2876 
   H  29    1.1766     1.0698     0.6200     2.0939     4.0576     5.9779 
   H  30    1.6200     1.9038     0.6200     2.6200     4.1110     5.8054 
   H  31    1.1766     1.9038     0.6200     2.0939     3.2498     4.9366 
   H  32    1.1766     0.6200     1.9038     1.0698     3.5582     5.7375 
   H  33    1.6200     0.6200     1.9038     1.9038     4.3589     6.5001 
   H  34    1.1766     0.6200     1.0698     1.9038     4.1178     6.1433 
   H  35    4.8212     5.4428     5.6786     4.0301     2.2901     2.7951 
   H  36    5.0104     5.7745     5.7474     4.3791     2.1302     1.7992 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    2.1652     0.0000 
   H  21    1.5279     0.7970     0.0000 
   H  22    2.9532     1.5279     2.1652     0.0000 
   H  23    2.6463     0.7848     1.5278     0.7971     0.0000 
   H  24    2.9499     2.6464     2.9532     1.5278     2.1652     0.0000 
   H  25    3.0556     2.1562     2.6463     0.7846     1.5278     0.7971 
   H  26    3.5370     4.3874     4.3630     3.6472     4.1438     2.1679 
   H  27    3.9588     5.1067     4.9877     4.4862     4.9353     3.0332 
   H  28    4.7078     5.6203     5.6012     4.7911     5.3419     3.2703 
   H  29    5.6155     5.7843     6.0359     4.5291     5.2619     3.1379 
   H  30    5.5545     5.3952     5.7507     4.0211     4.7940     2.7975 
   H  31    4.6777     4.5956     4.9086     3.2954     4.0402     1.9625 
   H  32    5.1867     5.9769     6.0097     5.0447     5.6443     3.5172 
   H  33    5.9894     6.6115     6.7151     5.5460     6.2062     4.0430 
   H  34    5.7194     6.0732     6.2651     4.8923     5.5975     3.4417 
   H  35    2.0484     4.2080     3.5651     4.7658     4.6187     4.2219 
   H  36    1.1541     3.2887     2.5835     4.0838     3.8001     3.8679 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    2.9636     0.0000 
   H  27    3.8254     0.8768     0.0000 
   H  28    4.0608     1.2400     0.8768     0.0000 
   H  29    3.7480     2.3532     2.6924     2.0000     0.0000 
   H  30    3.2675     2.6924     3.2400     2.6924     0.8768     0.0000 
   H  31    2.5180     2.0000     2.6924     2.3532     1.2400     0.8768 
   H  32    4.2881     1.6640     1.4142     0.5374     1.6640     2.4531 
   H  33    4.7670     2.4531     2.2910     1.4142     1.4142     2.2910 
   H  34    4.1077     2.2910     2.4531     1.6640     0.5374     1.4142 
   H  35    4.6305     3.6457     3.5924     4.4679     5.9972     6.2315 
   H  36    4.1068     3.8822     4.0626     4.9040     6.1568     6.2412 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    2.2910     0.0000 
   H  33    2.4531     0.8768     0.0000 
   H  34    1.6640     1.2400     0.8768     0.0000 
   H  35    5.4125     5.0047     5.8808     5.9135     0.0000 
   H  36    5.3785     5.4252     6.2815     6.1664     1.0739     0.0000 




ATOMIC CHARGES
   O   1   -0.4445188525
   O   2   -0.2262172266
   O   3   -0.2739872674
   N   4   -0.2558828409
   N   5   -0.3277899525
   C   6    0.1050584874
   C   7   -0.0256110692
   C   8   -0.0494954368
   C   9   -0.0369500189
   C  10    0.0185927480
   C  11    0.4039916924
   C  12    0.2311447387
   C  13    0.1067901084
   C  14   -0.0253133074
   C  15   -0.0253133074
   C  16   -0.0253133074
   H  17    0.0597599680
   H  18    0.0287861144
   H  19    0.0287861144
   H  20    0.0266460317
   H  21    0.0266460317
   H  22    0.0280376037
   H  23    0.0280376037
   H  24    0.0465680421
   H  25    0.0465680421
   H  26    0.0267782877
   H  27    0.0267782877
   H  28    0.0267782877
   H  29    0.0267782877
   H  30    0.0267782877
   H  31    0.0267782877
   H  32    0.0267782877
   H  33    0.0267782877
   H  34    0.0267782877
   H  35    0.1449873354
   H  36    0.1449873354


BOND ANGLES
  11    1   13   C2   O3   C3    120.001
   6    4   10   C3  Nam   C3    119.999
   6    4   11   C3  Nam   C2    120.001
  10    4   11   C3  Nam   C2    120.001
  12    5   35   C2  Nam   HC    120.000
  12    5   36   C2  Nam   HC    119.998
  35    5   36   HC  Nam   HC    120.002
   4    6    7  Nam   C3   C3    120.001
   4    6   12  Nam   C3   C2    119.999
   4    6   17  Nam   C3   HC     59.999
   7    6   12   C3   C3   C2    120.001
   7    6   17   C3   C3   HC    179.974
  12    6   17   C2   C3   HC     59.999
   6    7    8   C3   C3   C3    120.001
   6    7   18   C3   C3   HC    159.996
   6    7   19   C3   C3   HC     79.997
   8    7   18   C3   C3   HC     80.004
   8    7   19   C3   C3   HC    160.002
  18    7   19   HC   C3   HC     79.999
   7    8    9   C3   C3   C3    119.999
   7    8   20   C3   C3   HC    159.996
   7    8   21   C3   C3   HC     80.006
   9    8   20   C3   C3   HC     80.006
   9    8   21   C3   C3   HC    159.996
  20    8   21   HC   C3   HC     79.990
   8    9   10   C3   C3   C3    120.001
   8    9   22   C3   C3   HC    160.002
   8    9   23   C3   C3   HC     80.004
  10    9   22   C3   C3   HC     79.997
  10    9   23   C3   C3   HC    159.996
  22    9   23   HC   C3   HC     79.999
   4   10    9  Nam   C3   C3    120.001
   4   10   24  Nam   C3   HC     80.004
   4   10   25  Nam   C3   HC    160.002
   9   10   24   C3   C3   HC    159.996
   9   10   25   C3   C3   HC     79.997
  24   10   25   HC   C3   HC     79.999
   1   11    2   O3   C2   O2    119.999
   1   11    4   O3   C2  Nam    120.001
   2   11    4   O2   C2  Nam    120.001
   3   12    5   O2   C2  Nam    119.998
   3   12    6   O2   C2   C3    120.001
   5   12    6  Nam   C2   C3    120.001
   1   13   14   O3   C3   C3    179.974
   1   13   15   O3   C3   C3     90.000
   1   13   16   O3   C3   C3     90.000
  14   13   15   C3   C3   C3     90.000
  14   13   16   C3   C3   C3     90.000
  15   13   16   C3   C3   C3    179.974
  13   14   32   C3   C3   HC     90.000
  13   14   33   C3   C3   HC    179.974
  13   14   34   C3   C3   HC     90.000
  32   14   33   HC   C3   HC     90.000
  32   14   34   HC   C3   HC    179.974
  33   14   34   HC   C3   HC     90.000
  13   15   29   C3   C3   HC     90.000
  13   15   30   C3   C3   HC    179.974
  13   15   31   C3   C3   HC     90.000
  29   15   30   HC   C3   HC     90.000
  29   15   31   HC   C3   HC    179.974
  30   15   31   HC   C3   HC     90.000
  13   16   26   C3   C3   HC     90.000
  13   16   27   C3   C3   HC    179.974
  13   16   28   C3   C3   HC     90.000
  26   16   27   HC   C3   HC     90.000
  26   16   28   HC   C3   HC    179.974
  27   16   28   HC   C3   HC     90.000


TORSION ANGLES
  13    1   11    2      0.026
  13    1   11    4    179.974
  11    1   13   14    180.000
  11    1   13   15    179.974
  11    1   13   16      0.026
  10    4    6    7      0.026
  10    4    6   12    179.974
  10    4    6   17    179.974
  11    4    6    7    179.974
  11    4    6   12      0.026
  11    4    6   17      0.026
   6    4   10    9      0.026
   6    4   10   24    179.974
   6    4   10   25    179.974
  11    4   10    9    179.974
  11    4   10   24      0.026
  11    4   10   25      0.026
   6    4   11    1    179.974
   6    4   11    2      0.026
  10    4   11    1      0.026
  10    4   11    2    179.974
  35    5   12    3      0.026
  35    5   12    6    179.974
  36    5   12    3    179.974
  36    5   12    6      0.026
   4    6    7    8      0.026
   4    6    7   18    179.974
   4    6    7   19    179.974
  12    6    7    8    179.974
  12    6    7   18      0.026
  12    6    7   19      0.026
  17    6    7    8    180.000
  17    6    7   18    180.000
  17    6    7   19    180.000
   4    6   12    3      0.026
   4    6   12    5    179.974
   7    6   12    3    179.974
   7    6   12    5      0.026
  17    6   12    3      0.026
  17    6   12    5    179.974
   6    7    8    9      0.026
   6    7    8   20    179.974
   6    7    8   21    179.974
  18    7    8    9    179.974
  18    7    8   20      0.026
  18    7    8   21      0.026
  19    7    8    9    179.974
  19    7    8   20      0.026
  19    7    8   21      0.026
   7    8    9   10      0.026
   7    8    9   22    179.974
   7    8    9   23    179.974
  20    8    9   10    179.974
  20    8    9   22      0.026
  20    8    9   23      0.026
  21    8    9   10    179.974
  21    8    9   22      0.026
  21    8    9   23      0.026
   8    9   10    4      0.026
   8    9   10   24    179.974
   8    9   10   25    179.974
  22    9   10    4    179.974
  22    9   10   24      0.026
  22    9   10   25      0.026
  23    9   10    4    179.974
  23    9   10   24      0.026
  23    9   10   25      0.026
   1   13   14   32    180.000
   1   13   14   33    180.000
   1   13   14   34    180.000
  15   13   14   32    179.974
  15   13   14   33    180.000
  15   13   14   34      0.026
  16   13   14   32      0.026
  16   13   14   33    180.000
  16   13   14   34    179.974
   1   13   15   29    179.974
   1   13   15   30    180.000
   1   13   15   31      0.026
  14   13   15   29      0.026
  14   13   15   30    180.000
  14   13   15   31    179.974
  16   13   15   29    180.000
  16   13   15   30    180.000
  16   13   15   31    180.000
   1   13   16   26      0.026
   1   13   16   27    180.000
   1   13   16   28    179.974
  14   13   16   26    179.974
  14   13   16   27    180.000
  14   13   16   28      0.026
  15   13   16   26    180.000
  15   13   16   27    180.000
  15   13   16   28    180.000


CHIRAL ATOMS
  15   13   16   28    180.000