Molecule ID: 70703

IUPAC Name: 4-(methylamino)butanoic acid

Description: The molecule is a gamma-amino acid comprising that is GABA in which one of the hydrogens attached to the nitrogen is replaced by a methyl group. It derives from a butyric acid and a gamma-aminobutyric acid. It is a conjugate acid of a 4-(methylamino)butyrate. It is a tautomer of a 4-(methylamino)butyric acid zwitterion.

SMILES: CNCCCC(=O)O

SELFIES: [C][N][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C5H11NO2/c1-6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)

Molecular Properties:
- Polar Surface Area: 49.3 Ų
- LogP: -2.6