Molecule ID: 91825610

IUPAC Name: (3R)-3-(2-carboxypropanoyloxy)-4-(trimethylazaniumyl)butanoate

Description: The molecule is an O-acyl-L-carnitine in which the acyl group specified is methylmalonyl. It has a role as a metabolite. It derives from a methylmalonic acid.

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

SELFIES: [C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][N+1][Branch1][C][C][Branch1][C][C][C]

InChI: InChI=1S/C11H19NO6/c1-7(10(15)16)11(17)18-8(5-9(13)14)6-12(2,3)4/h7-8H,5-6H2,1-4H3,(H-,13,14,15,16)/t7?,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 0.6