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2-Amino-3-(pyridin-2-yl)propionic acid ethyl ester
2-Amino-3-(pyridin-2-yl)propionic acid ethyl ester ID: API-28943
CAS:103394-76-9
Supplier:APIchem

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SMILES:C(=O)(C(Cc1ncccc1)N)OCC	ChemMol.com
FORMULA: C10H14N2O2
MASS: 194.2304
EXACT MASS: 194.1055277
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.2507     0.0000 
   C   3    2.1708     1.2543     0.0000 
   N   4    4.3333     3.3096     2.1625     0.0000 
   O   5    1.2500     2.1654     2.5050     4.5100     0.0000 
   C   6    3.3054     2.1625     1.2435     1.2543     3.7484     0.0000 
   N   7    2.1654     1.2500     2.1676     3.7521     3.3074     2.4978 
   O   8    1.2471     2.1625     3.3096     5.4485     2.1634     4.3250 
   C   9    5.4485     4.3292     3.3014     1.2471     5.7281     2.1667 
   C  10    2.1667     3.3096     4.3375     6.5000     2.5014     5.4485 
   C  11    3.7484     2.4978     2.1613     2.1676     4.5056     1.2500 
   C  12    3.3014     4.3250     5.4485     7.6007     3.7449     6.4875 
   C  13    5.7281     4.5060     3.7449     2.1634     6.2499     2.5014 
   C  14    5.0027     3.7521     3.3055     2.5000     5.7306     2.1676 

              N   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   O   8    2.4978     0.0000 
   C   9    4.5060     6.4917     0.0000 
   C  10    3.7521     1.2543     7.6049     0.0000 
   C  11    2.1625     4.5020     2.5014     5.7281     0.0000 
   C  12    4.5020     2.1625     8.6542     1.2435     6.6068     0.0000 
   C  13    4.3292     6.6110     1.2500     7.8077     2.1667     8.7440 
   C  14    3.3096     5.7281     2.1634     6.9642     1.2543     7.8036 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    1.2471     0.0000 



ATOMIC CHARGES
   C   1    0.3349407101
   C   2    0.1958770690
   C   3    0.0762037516
   N   4   -0.2480890793
   O   5   -0.2484854137
   C   6    0.0610349806
   N   7   -0.1205559031
   O   8   -0.4475060242
   C   9    0.0984469443
   C  10    0.2086015566
   C  11    0.0147996208
   C  12    0.0512708689
   C  13    0.0206570627
   C  14    0.0028038556


BOND ANGLES
   2    1    5   C3   C2   O2    119.982
   2    1    8   C3   C2   O3    119.941
   5    1    8   O2   C2   O3    120.077
   1    2    3   C2   C3   C3    120.131
   1    2    7   C2   C3   N3    119.982
   3    2    7   C3   C3   N3    119.887
   2    3    6   C3   C3  Car    119.940
   6    4    9  Car  Nar  Car    120.037
   3    6    4   C3  Car  Nar    119.940
   4    6   11  Nar  Car  Car    119.887
   3    6   11   C3  Car  Car    120.174
   1    8   10   C2   O3   C3    120.037
   4    9   13  Nar  Car  Car    120.077
   8   10   12   O3   C3   C3    119.940
   6   11   14  Car  Car  Car    119.887
   9   13   14  Car  Car  Car    120.077
  11   14   13  Car  Car  Car    120.037


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


CHIRAL ATOMS
   9   13   14   11      0.026