Molecule ID: 90659893

IUPAC Name: (3R)-3-[(E)-but-2-enoyl]oxy-4-(trimethylazaniumyl)butanoate

Description: The molecule is a O-butenoyl-L-carnitine in which the acyl group is specified as crotonyl. It is an O-butenoyl-L-carnitine and a (2E)-enoyl-L-carnitine. It derives from a crotonic acid.

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

SELFIES: [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/C11H19NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h5-6,9H,7-8H2,1-4H3/b6-5+/t9-/m1/s1

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 1.2