14731978
  CDK     0928211108

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.9508    0.5692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -0.6683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929    0.5692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  2  8  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
M  END
> <ID>
CHEBI:180619

> <NAME>
3-Aminopentanoic acid

> <STAR>
2

> <IUPAC_NAME>
3-aminopentanoic acid

> <FORMULA>
C5H11NO2

> <MASS>
117.148

> <MONOISOTOPIC_MASS>
117.07898

> <CHARGE>
0

> <SMILES>
OC(=O)CC(N)CC

> <INCHI>
InChI=1S/C5H11NO2/c1-2-4(6)3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)

> <INCHIKEY>
QFRURJKLPJVRQY-UHFFFAOYSA-N

$$$$