Molecule ID: 18230

IUPAC Name: (3S)-3-acetyloxy-4-(trimethylazaniumyl)butanoate

Description: The molecule is an O-acyl-D-carnitine in which the acyl group specified is acetyl. It is an O-acetylcarnitine and an O-acyl-D-carnitine. It is an enantiomer of an O-acetyl-L-carnitine.

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

SELFIES: [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/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 0.4