Molecule ID: 88730540

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

Description: The molecule is an O-acyl-L-carnitine in which the acyl group is specified as acetoacetyl. It is an O-acyl-L-carnitine and an oxo-fatty acyl-L-carnitine. It derives from an acetoacetic 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/C11H19NO5/c1-8(13)5-11(16)17-9(6-10(14)15)7-12(2,3)4/h9H,5-7H2,1-4H3/t9-/m1/s1

Molecular Properties:
- Polar Surface Area: 83.5 Ų
- LogP: 0.2