Molecule ID: 6426851

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

Description: The molecule is a C5-acylcarnitine having isovaleryl as the acyl substituent. It has a role as a human metabolite. It derives from an isovaleric acid.

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

SELFIES: [C][C][Branch1][C][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/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 1.6