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methyl 1-aminocyclopentanecarboxylate
methyl 1-aminocyclopentanecarboxylate ID: AN-6670
CAS:78388-61-1
Supplier:AN PharmaTech Co Ltd

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SMILES:O(C(=O)C1(N)CCCC1)C	231225
FORMULA: C7H13NO2
MASS: 143.1836
EXACT MASS: 143.0946287
INTERATOMIC DISTANCES

              O   1      O   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7321     0.0000 
   N   3    2.1726     1.1940     0.0000 
   C   4    1.7320     1.7321     1.0001     0.0000 
   C   5    2.7181     2.5135     1.4142     0.9999     0.0000 
   C   6    1.5059     2.3941     1.9754     0.9999     1.6180     0.0000 
   C   7    3.0608     3.3317     2.3495     1.6180     1.0000     1.6180 
   C   8    2.4907     3.2770     2.5877     1.6180     1.6180     1.0000 
   C   9    1.0000     1.0000     1.1756     1.0001     1.9754     1.4142 
   C  10    1.0000     2.0001     2.8464     2.6458     3.6456     2.5035 
   H  11    2.8049     2.1989     1.0107     1.1202     0.6200     2.0014 
   H  12    3.3366     2.9981     1.8274     1.6116     0.6200     2.1989 
   H  13    1.5582     2.8272     2.5639     1.6116     2.1989     0.6200 
   H  14    0.8861     2.0062     1.9112     1.1202     2.0014     0.6200 
   H  15    3.5857     3.6265     2.5305     2.0014     1.1202     2.1990 
   H  16    3.4999     3.9267     2.9684     2.1989     1.6116     2.0014 
   H  17    3.0814     3.8863     3.1360     2.1989     2.0014     1.6116 
   H  18    2.4195     3.5143     3.0008     2.0013     2.1989     1.1202 
   H  19    2.7870     1.6961     0.6200     1.4158     1.3894     2.4141 
   H  20    2.0319     0.6224     0.6200     1.4158     2.0195     2.2725 
   H  21    1.1766     2.5559     3.2772     2.9083     3.8900     2.5468 
   H  22    1.6200     2.3716     3.3471     3.2379     4.2372     3.1228 
   H  23    1.1767     1.4956     2.4967     2.5121     3.4954     2.6112 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    2.5877     2.3495     0.0000 
   C  10    4.0554     3.4793     1.7320     0.0000 
   H  11    1.6116     2.1989     1.9112     3.6421     0.0000 
   H  12    1.1202     2.0014     2.5639     4.2555     0.8297     0.0000 
   H  13    2.0014     1.1202     1.8274     2.4840     2.6162     2.7508 
   H  14    2.1989     1.6116     1.0107     1.8846     2.2380     2.6162 
   H  15    0.6200     1.6117     3.0009     4.5669     1.6169     0.8704 
   H  16    0.6200     1.1202     3.1360     4.4998     2.2129     1.6169 
   H  17    1.1202     0.6200     2.9684     4.0584     2.6163     2.2380 
   H  18    1.6116     0.6199     2.5305     3.3543     2.7508     2.6162 
   H  19    2.3892     2.8490     1.7934     3.4611     0.7996     1.5933 
   H  20    2.9189     3.0317     1.0833     2.5095     1.6273     2.4473 
   H  21    4.1575     3.4556     2.1115     0.6200     3.9761     4.5095 
   H  22    4.6732     4.0950     2.2900     0.6200     4.1971     4.8413 
   H  23    4.0468     3.6111     1.5200     0.6201     3.3898     4.0807 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.8297     0.0000 
   H  15    2.6163     2.7509     0.0000 
   H  16    2.2380     2.6163     0.8298     0.0000 
   H  17    1.6169     2.2129     1.6170     0.8704     0.0000 
   H  18    0.8704     1.6169     2.2129     1.6169     0.8297     0.0000 
   H  19    3.0273     2.4556     2.4139     2.9999     3.3311     3.3402 
   H  20    2.7992     2.0372     3.1393     3.5323     3.6141     3.3676 
   H  21    2.3741     1.9623     4.7127     4.5357     3.9902     3.2225 
   H  22    3.0813     2.5043     5.1788     5.1198     4.6691     3.9500 
   H  23    2.7337     2.0055     4.5025     4.5491     4.2177     3.5900 

              H  19      H  20      H  21      H  22      H  23
              -------------------------------------------------------
   H  19    0.0000 
   H  20    1.0739     0.0000 
   H  21    3.8972     3.0158     0.0000 
   H  22    3.9490     2.9405     0.8768     0.0000 
   H  23    3.0885     2.0661     1.2400     0.8768     0.0000 



ATOMIC CHARGES
   O   1   -0.4666513016
   O   2   -0.2487687734
   N   3   -0.3158582657
   C   4    0.1146541032
   C   5   -0.0244474032
   C   6   -0.0244474032
   C   7   -0.0508028930
   C   8   -0.0508028930
   C   9    0.3270127254
   C  10    0.0817179634
   H  11    0.0288291504
   H  12    0.0288291504
   H  13    0.0288291504
   H  14    0.0288291504
   H  15    0.0265988846
   H  16    0.0265988846
   H  17    0.0265988846
   H  18    0.0265988846
   H  19    0.1192087423
   H  20    0.1192087423
   H  21    0.0660881721
   H  22    0.0660881721
   H  23    0.0660881721


BOND ANGLES
   9    1   10   C2   O3   C3    119.997
   4    3   19   C3   N3   HC    119.989
   4    3   20   C3   N3   HC    120.000
  19    3   20   HC   N3   HC    120.010
   3    4    5   N3   C3   C3     89.999
   3    4    6   N3   C3   C3    161.995
   3    4    9   N3   C3   C2     71.996
   5    4    6   C3   C3   C3    108.007
   5    4    9   C3   C3   C2    161.995
   6    4    9   C3   C3   C2     89.999
   4    5    7   C3   C3   C3    107.998
   4    5   11   C3   C3   HC     84.005
   4    5   12   C3   C3   HC    168.005
   7    5   11   C3   C3   HC    167.997
   7    5   12   C3   C3   HC     83.996
  11    5   12   HC   C3   HC     84.000
   4    6    8   C3   C3   C3    107.998
   4    6   13   C3   C3   HC    168.005
   4    6   14   C3   C3   HC     84.005
   8    6   13   C3   C3   HC     83.996
   8    6   14   C3   C3   HC    167.997
  13    6   14   HC   C3   HC     84.000
   5    7    8   C3   C3   C3    107.998
   5    7   15   C3   C3   HC     84.000
   5    7   16   C3   C3   HC    168.001
   8    7   15   C3   C3   HC    168.001
   8    7   16   C3   C3   HC     84.001
  15    7   16   HC   C3   HC     84.001
   6    8    7   C3   C3   C3    107.998
   6    8   17   C3   C3   HC    168.001
   6    8   18   C3   C3   HC     84.002
   7    8   17   C3   C3   HC     84.001
   7    8   18   C3   C3   HC    167.999
  17    8   18   HC   C3   HC     83.999
   1    9    2   O3   C2   O2    120.009
   1    9    4   O3   C2   C3    119.994
   2    9    4   O2   C2   C3    119.998
   1   10   21   O3   C3   HC     90.004
   1   10   22   O3   C3   HC    179.974
   1   10   23   O3   C3   HC     90.004
  21   10   22   HC   C3   HC     90.000
  21   10   23   HC   C3   HC    179.974
  22   10   23   HC   C3   HC     89.993


TORSION ANGLES
  10    1    9    2      0.026
  10    1    9    4    179.974
   9    1   10   21    179.974
   9    1   10   22      0.026
   9    1   10   23      0.026
  19    3    4    5      0.026
  19    3    4    6    179.974
  19    3    4    9    179.974
  20    3    4    5    179.974
  20    3    4    6      0.026
  20    3    4    9      0.026
   3    4    5    7    179.974
   3    4    5   11      0.026
   3    4    5   12      0.026
   6    4    5    7      0.026
   6    4    5   11    179.974
   6    4    5   12    179.974
   9    4    5    7    179.974
   9    4    5   11      0.026
   9    4    5   12      0.026
   3    4    6    8    179.974
   3    4    6   13      0.026
   3    4    6   14      0.026
   5    4    6    8      0.026
   5    4    6   13    179.974
   5    4    6   14    179.974
   9    4    6    8    179.974
   9    4    6   13      0.026
   9    4    6   14      0.026
   3    4    9    1    179.974
   3    4    9    2      0.026
   5    4    9    1    179.974
   5    4    9    2      0.026
   6    4    9    1      0.026
   6    4    9    2    179.974
   4    5    7    8      0.026
   4    5    7   15    179.974
   4    5    7   16    179.974
  11    5    7    8    179.974
  11    5    7   15      0.026
  11    5    7   16      0.026
  12    5    7    8    179.974
  12    5    7   15      0.026
  12    5    7   16      0.026
   4    6    8    7      0.026
   4    6    8   17    179.974
   4    6    8   18    179.974
  13    6    8    7    179.974
  13    6    8   17      0.026
  13    6    8   18      0.026
  14    6    8    7    179.974
  14    6    8   17      0.026
  14    6    8   18      0.026
   5    7    8    6      0.026
   5    7    8   17    179.974
   5    7    8   18    179.974
  15    7    8    6    179.974
  15    7    8   17      0.026
  15    7    8   18      0.026
  16    7    8    6    179.974
  16    7    8   17      0.026
  16    7    8   18      0.026