Molecule ID: 288

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

Description: The molecule is an amino-acid betaine that is butanoate substituted with a hydroxy group at position C-3 and a trimethylammonium group at C-4. It has a role as a human metabolite and a mouse metabolite. It derives from a butyrate. It is a conjugate base of a carnitinium.

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/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: -0.2