Molecule ID: 71464474

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

Description: The molecule is an O-acylcarnitine having 3-hydroxyisovaleryl as the acyl substituent. It has a role as a human metabolite. It derives from a 3-hydroxyisovaleric acid.

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

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

InChI: InChI=1S/C12H23NO5/c1-12(2,17)7-11(16)18-9(6-10(14)15)8-13(3,4)5/h9,17H,6-8H2,1-5H3

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 0.2