Ketcher 03121813252D 1   1.00000     0.00000     0

 14 14  0     0  0            999 V2000
   10.3516   -8.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4856   -8.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3514   -9.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6195   -8.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4853  -10.0570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6193   -9.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4857   -7.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3517   -6.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2176   -7.0571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3517   -5.5570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0837   -6.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9498   -7.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8157   -6.5571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9496   -8.0570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  1  2  0     0  0
  4  2  2  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  2  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  8 10  2  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 12 14  2  0     0  0
M  END
> <ID>
CHEBI:71264

> <NAME>
4-pyridylacetylglycine

> <DEFINITION>
An N-acylglycine in which the acyl group is specified as 4-pyridylacetyl.

> <STAR>
3

> <SYNONYM>
N-(4-pyridinylacetyl)glycine; [(pyridin-4-ylacetyl)amino]acetic acid

> <IUPAC_NAME>
N-(pyridin-4-ylacetyl)glycine

> <FORMULA>
C9H10N2O3

> <MASS>
194.188

> <MONOISOTOPIC_MASS>
194.06914

> <CHARGE>
0

> <SMILES>
C=1C(=CC=NC1)CC(NCC(O)=O)=O

> <INCHI>
InChI=1S/C9H10N2O3/c12-8(11-6-9(13)14)5-7-1-3-10-4-2-7/h1-4H,5-6H2,(H,11,12)(H,13,14)

> <INCHIKEY>
LBDIECSNEGFJIZ-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
14247153

$$$$