Molecule ID: 6426903

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

Description: The molecule is a C5-acylcarnitine in which the acyl group specified is valeroyl. It has a role as a metabolite. It derives from a valeric acid.

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

SELFIES: [C][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/c1-5-6-7-12(16)17-10(8-11(14)15)9-13(2,3)4/h10H,5-9H2,1-4H3

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 1.8