Molecule ID: 90659885

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

Description: The molecule is an O-hydroxybutyryl-L-carnitine in which the acyl group is specified as 3-hydroxybutyryl. It is an O-hydroxybutyryl-L-carnitine and a hydroxy-fatty acyl-L-carnitine. It derives from a 3-hydroxybutyric acid.

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

SELFIES: [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/C11H21NO5/c1-8(13)5-11(16)17-9(6-10(14)15)7-12(2,3)4/h8-9,13H,5-7H2,1-4H3/t8?,9-/m1/s1

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 0.1