Molecule ID: 168379

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

Description: The molecule is an optically active form of O-isobutyrylcarnitine having (R)-configuration. It has a role as a human metabolite. It is an O-isobutyrylcarnitine, a methyl-branched fatty acyl-L-carnitine and a saturated fatty acyl-L-carnitine.

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

SELFIES: [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/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 1.4