Molecule ID: 91825606

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

Description: The molecule is an O-acyl-L-carnitine in which the acyl group is specified as malonyl. It has a role as a metabolite. It derives from a malonic acid. It is an enantiomer of an O-malonyl-D-carnitine.

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

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

InChI: InChI=1S/C10H17NO6/c1-11(2,3)6-7(4-8(12)13)17-10(16)5-9(14)15/h7H,4-6H2,1-3H3,(H-,12,13,14,15)/t7-/m1/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 0.1