Molecule ID: 725

IUPAC Name: 4-(trimethylazaniumyl)butanoate

Description: The molecule is an amino-acid betaine gamma-aminobutyric acid zwitterion in which all of the hydrogens attached to the nitrogen are replaced by methyl groups. It has a role as a human metabolite and an Escherichia coli metabolite. It derives from a gamma-aminobutyrate and a gamma-aminobutyric acid zwitterion. It is a conjugate base of a 4-(trimethylammonio)butanoic acid.

SMILES: C[N+](C)(C)CCCC(=O)[O-]

SELFIES: [C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 0.8