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(2S)-2-aminopent-4-enoic acid
(2S)-2-aminopent-4-enoic acid ID: AN-15454
CAS:16338-48-0
Supplier:AN PharmaTech Co Ltd

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SMILES:OC(=O)[C@@H](N)CC=C	167529
FORMULA: C5H9NO2
MASS: 115.1305
EXACT MASS: 115.0633285
INTERATOMIC DISTANCES

              O   1      O   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7320     0.0000 
   N   3    2.6458     2.0000     0.0000 
   C   4    1.7320     1.7320     1.0001     0.0000 
   C   5    2.0000     2.6457     1.7321     1.0000     0.0000 
   C   6    1.0000     1.0000     1.7321     1.0000     1.7320     0.0000 
   C   7    3.0000     3.4641     2.0000     1.7321     1.0001     2.6458 
   C   8    3.6056     4.3589     3.0000     2.6458     1.7321     3.4641 
   H   9    1.8396     1.2346     0.8744     0.6200     1.6200     0.8743 
   H  10    2.1943     3.1512     2.3451     1.5967     0.6200     2.1829 
   H  11    1.4332     2.4059     2.0295     1.0812     0.6199     1.4155 
   H  12    3.3533     3.5192     1.7732     1.8397     1.4158     2.8292 
   H  13    3.1408     2.6200     0.6200     1.4158     1.8397     2.2901 
   H  14    2.8292     1.7733     0.6200     1.4158     2.2901     1.8397 
   H  15    4.2100     4.8708     3.3533     3.1408     2.2901     4.0130 
   H  16    3.4849     4.4726     3.3533     2.8292     1.8397     3.5191 
   H  17    0.6201     1.8397     3.1409     2.2901     2.6200     1.4158 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   H   9    2.2901     3.2380     0.0000 
   H  10    1.0813     1.4156     2.2128     0.0000 
   H  11    1.5968     2.1829     1.6309     0.7971     0.0000 
   H  12    0.6200     1.4158     2.2901     1.6620     2.0354     0.0000 
   H  13    1.7732     2.7431     1.4674     2.3980     2.2859     1.3800 
   H  14    2.6200     3.6200     1.0001     2.9097     2.4959     2.3716 
   H  15    1.4158     0.6200     3.7058     2.0285     2.7806     1.6200 
   H  16    1.4158     0.6201     3.4458     1.3414     2.1355     1.9436 
   H  17    3.6201     4.2101     2.2901     2.7952     2.0485     3.9666 

              H  13      H  14      H  15      H  16      H  17
              -------------------------------------------------------
   H  13    0.0000 
   H  14    1.0739     0.0000 
   H  15    3.0000     3.9665     0.0000 
   H  16    3.1864     3.9665     1.0739     0.0000 
   H  17    3.6740     3.2380     4.8185     4.0601     0.0000 



ATOMIC CHARGES
   O   1   -0.4795273144
   O   2   -0.2492429166
   N   3   -0.3181569518
   C   4    0.1066660699
   C   5   -0.0093654127
   C   6    0.3220173735
   C   7   -0.0891138445
   C   8   -0.1025686621
   H   9    0.0576979795
   H  10    0.0327599699
   H  11    0.0327599699
   H  12    0.0566920940
   H  13    0.1189640015
   H  14    0.1189640015
   H  15    0.0531751572
   H  16    0.0531751572
   H  17    0.2951033280


BOND ANGLES
   6    1   17   C2   O3   HO    120.002
   4    3   13   C3   N3   HC    120.000
   4    3   14   C3   N3   HC    119.998
  13    3   14   HC   N3   HC    120.002
   3    4    5   N3   C3   C3    119.998
   3    4    6   N3   C3   C2    120.001
   3    4    9   N3   C3   HC     60.002
   5    4    6   C3   C3   C2    120.001
   5    4    9   C3   C3   HC    179.974
   6    4    9   C2   C3   HC     59.999
   4    5    7   C3   C3   C2    119.998
   4    5   10   C3   C3   HC    160.004
   4    5   11   C3   C3   HC     79.995
   7    5   10   C2   C3   HC     79.998
   7    5   11   C2   C3   HC    160.007
  10    5   11   HC   C3   HC     80.009
   1    6    2   O3   C2   O2    120.001
   1    6    4   O3   C2   C3    119.999
   2    6    4   O2   C2   C3    120.001
   5    7    8   C3   C2   C2    119.998
   5    7   12   C3   C2   HC    120.000
   8    7   12   C2   C2   HC    120.002
   7    8   15   C2   C2   HC    120.002
   7    8   16   C2   C2   HC    119.997
  15    8   16   HC   C2   HC    120.001


TORSION ANGLES
  17    1    6    2      0.026
  17    1    6    4    179.974
   5    4    3   13      0.026
   5    4    3   14    179.974
   6    4    3   13    179.974
   6    4    3   14      0.026
   9    4    3   13    179.974
   9    4    3   14      0.026
   3    4    5    7      0.026
   3    4    5   10    179.974
   3    4    5   11    179.974
   6    4    5    7    179.974
   6    4    5   10      0.026
   6    4    5   11      0.026
   9    4    5    7    180.000
   9    4    5   10    180.000
   9    4    5   11    180.000
   3    4    6    1    179.974
   3    4    6    2      0.026
   5    4    6    1      0.026
   5    4    6    2    179.974
   9    4    6    1    179.974
   9    4    6    2      0.026
   4    5    7    8    179.974
   4    5    7   12      0.026
  10    5    7    8      0.026
  10    5    7   12    179.974
  11    5    7    8      0.026
  11    5    7   12    179.974
   5    7    8   15    179.974
   5    7    8   16      0.026
  12    7    8   15      0.026
  12    7    8   16    179.974


CHIRAL ATOMS
  12    7    8   16    179.974