Molecule ID: 439824

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

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

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

SELFIES: [C][C][C][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/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 3.4