Molecule ID: 10177002

IUPAC Name: 3-(2-methylpropanoyloxy)-4-(trimethylazaniumyl)butanoate

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

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

SELFIES: [C][C][Branch1][C][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/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 1.4