Molecule ID: 91825716

IUPAC Name: (3S)-3-(2,2-dimethylpropanoyloxy)-4-(trimethylazaniumyl)butanoate

Description: The molecule is a C5-acylcarnitine in which the acyl group specified is pivaloyl. It has a role as a metabolite. It derives from a pivalic acid.

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

SELFIES: [C][C][Branch1][C][C][Branch1][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/C12H23NO4/c1-12(2,3)11(16)17-9(7-10(14)15)8-13(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1

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