Molecule ID: 169235

IUPAC Name: (3R)-3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate

Description: The molecule is an O-isovalerylcarnitine that is the 3-methylbutanoyl (isovaleryl) derivative of L-carnitine. It has a role as a bone density conservation agent. It is an O-isovalerylcarnitine and a methyl-branched fatty acyl-L-carnitine.

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

SELFIES: [C][C][Branch1][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/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3/t10-/m1/s1

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 1.6