Molecule ID: 16226475

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

Description: The molecule is an O-acyl-L-carnitine in which the acyl group specified is valeroyl. It is an O-valeroylcarnitine and a saturated fatty acyl-L-carnitine.

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

SELFIES: [C][C][C][C][C][=Branch1][C][=O][O][C@H1][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/t10-/m1/s1

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