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1-(aminocarbonyl)piperidine-3-carboxylic acid
1-(aminocarbonyl)piperidine-3-carboxylic acid
ID: BP-11213
CAS:871478-82-9
Supplier:BroadPharm

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SMILES:N1(C(=O)N)CC(C(=O)O)CCC1	
FORMULA: C7H12N2O3
MASS: 172.1818
EXACT MASS: 172.0847923
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2471     0.0000 
   C   3    2.1708     3.3096     0.0000 
   C   4    3.3096     4.3292     1.2471     0.0000 
   C   5    1.2507     2.1625     1.2543     2.1667     0.0000 
   O   6    2.1634     1.2500     3.7521     4.5060     2.4978     0.0000 
   O   7    3.7521     4.5060     2.1634     1.2500     2.5014     4.3292 
   N   8    2.1625     1.2507     4.3333     5.4485     3.3054     2.1654 
   O   9    4.3333     5.4485     2.1625     1.2507     3.3096     5.7281 
   C  10    1.2500     2.1634     2.5050     3.7521     2.1654     3.3061 
   C  11    2.5050     3.7521     1.2500     2.1634     2.1676     4.5087 
   C  12    2.1654     3.3055     2.1676     3.3083     2.5000     4.3288 

              O   7      N   8      O   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   N   8    5.7281     0.0000 
   O   9    2.1654     6.4958     0.0000 
   C  10    4.5087     2.4978     4.5100     0.0000 
   C  11    3.3061     4.5100     2.4978     2.1708     0.0000 
   C  12    4.3309     3.7484     3.7521     1.2507     1.2543     0.0000 




ATOMIC CHARGES
   N   1   -0.2610008669
   C   2    0.3429274832
   C   3    0.1232321169
   C   4    0.3659948975
   C   5    0.1062375337
   O   6   -0.2490243834
   O   7   -0.2456056661
   N   8   -0.0691533256
   O   9   -0.2456056661
   C  10    0.0950709912
   C  11    0.0147510236
   C  12    0.0221758621


BOND ANGLES
   2    1    5   C2  Nam   C3    119.941
   2    1   10   C2  Nam   C3    120.077
   5    1   10   C3  Nam   C3    119.982
   1    2    6  Nam   C2   O2    120.077
   1    2    8  Nam   C2  Nam    119.941
   6    2    8   O2   C2  Nam    119.982
   4    3    5  Cac   C3   C3    120.037
   5    3   11   C3   C3   C3    119.887
   4    3   11  Cac   C3   C3    120.077
   3    4    7   C3  Cac O.co2    120.077
   3    4    9   C3  Cac O.co2    119.941
   7    4    9 O.co2  Cac O.co2    119.982
   1    5    3  Nam   C3   C3    120.131
   1   10   12  Nam   C3   C3    119.982
   3   11   12   C3   C3   C3    119.887
  10   12   11   C3   C3   C3    120.131


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


CHIRAL ATOMS
   4    3   11   12    179.974