Molecule ID: 85

IUPAC Name: (3-carboxy-2-hydroxypropyl)-trimethylazanium

Description: The molecule is a quaternary ammonium ion that is the the conjugate acid of carnitine. It has a role as a human metabolite and a mouse metabolite. It derives from a gamma-amino-beta-hydroxybutyric acid. It is a conjugate acid of a carnitine.

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]

InChI: InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: -0.8