Molecule ID: 118796870

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

Description: The molecule is an O-acyl-L-carnitine in which the acyl group is specified as 3-hydroxyvaleryl. It has a role as a human metabolite. It derives from a 3-hydroxypentanoic acid.

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

SELFIES: [C][C][C][Branch1][C][O][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/C12H23NO5/c1-5-9(14)6-12(17)18-10(7-11(15)16)8-13(2,3)4/h9-10,14H,5-8H2,1-4H3/t9?,10-/m1/s1

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 0.6