Molecule ID: 6991982

IUPAC Name: 3-oxo-4-(trimethylazaniumyl)butanoate

Description: The molecule is an ammonium betaine that is the conjugate base of 3-dehydrocarnitinium; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a 3-dehydrocarnitinium.

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

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

InChI: InChI=1S/C7H13NO3/c1-8(2,3)5-6(9)4-7(10)11/h4-5H2,1-3H3

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 0.4