Molecule ID: 71306333

IUPAC Name: 3-(2-methylidenebutanoyloxy)-4-(trimethylazaniumyl)butanoate

Description: The molecule is an O-acylcarnitine compound having 2-ethylacryloyl as the acyl substituent. It has a role as a metabolite. It is an O-acylcarnitine, an ammonium betaine and a carboxylic ester. It derives from a carnitine. It is a tautomer of an O-tiglylcarnitine.

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

SELFIES: [C][=C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][N+1][Branch1][C][C][Branch1][C][C][C]

InChI: InChI=1S/C12H21NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h10H,2,6-8H2,1,3-5H3

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 1.8