
 4-aminobutyric acid

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.2937   -0.1391   -0.0980 C   0  0  0  0  0
    0.9326   -1.5421    0.3924 C   0  0  0  0  0
    1.4895   -2.6198   -0.4963 C   0  0  0  0  0
    1.8192   -2.5138   -1.6656 O   0  0  0  0  0
    1.5442   -3.8149    0.1236 O   0  0  0  0  0
    2.7917    0.1697   -0.0604 C   0  0  0  0  0
    3.3230    0.0778    1.2953 N   0  0  0  0  0
    0.9367   -0.0055   -1.1264 H   0  0  0  0  0
    0.7569    0.5956    0.5157 H   0  0  0  0  0
   -0.1577   -1.6548    0.4006 H   0  0  0  0  0
    1.2956   -1.6948    1.4143 H   0  0  0  0  0
    1.9107   -4.4177   -0.5556 H   0  0  0  0  0
    2.9613    1.1823   -0.4422 H   0  0  0  0  0
    3.3461   -0.5154   -0.7095 H   0  0  0  0  0
    2.8745    0.7769    1.8872 H   0  0  0  0  0
    4.3152    0.3152    1.2830 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  2 11  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 12  1  0  0  0
  6  7  1  0  0  0
  6 13  1  0  0  0
  6 14  1  0  0  0
  7 15  1  0  0  0
  7 16  1  0  0  0
M  END

>  <Chemical Name>
4-aminobutyric acid

>  <PubChem CID>
119

>  <Formula>
C4H9NO2

>  <Molecular Weight>
103.121000

>  <IUPAC Name>
4-aminobutanoic acid

>  <XlogP>
-3.200

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C(CC(=O)O)CN

>  <Isomeric SMILES>
C(CC(=O)O)CN

>  <InChI Std. ID>
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)

>  <InChI Key>
BTCSSZJGUNDROE-UHFFFAOYSA-N

