(3-Carboxy-2-(R)-Hydroxy-Propyl)-Trimethyl-Ammonium

Status : experimental

Description

Constituent of striated muscle and liver. It is used therapeutically to stimulate gastric and pancreatic secretions and in the treatment of hyperlipoproteinemias. [PubChem]

Chemical Classification

This compound belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group.

Hydroxy fatty acids

Organic compounds

Lipids and lipid-like molecules

Fatty Acyls

Fatty acids and conjugates

Calculated Property

kind Value Source
logP -2.8 ALOGPS
logS -1.5 ALOGPS
Water Solubility 6.58e+00 g/l ALOGPS
logP -4.9 ChemAxon
IUPAC Name [(2R)-3-carboxy-2-hydroxypropyl]trimethylazanium ChemAxon
Traditional IUPAC Name (R)-carnitinium ChemAxon
Molecular Weight 162.2068 ChemAxon
Monoisotopic Weight 162.113018383 ChemAxon
SMILES C[N+](C)(C)C[C@H](O)CC(O)=O ChemAxon
Molecular Formula C7H16NO3 ChemAxon
InChI InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m1/s1 ChemAxon
InChIKey InChIKey=PHIQHXFUZVPYII-ZCFIWIBFSA-O ChemAxon
Polar Surface Area (PSA) 57.53 ChemAxon
Refractivity 52.65 ChemAxon
Polarizability 17.2 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 4.2 ChemAxon
pKa (strongest basic) -3.6 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Carnitine O-acetyltransferase : in Human
  • Peroxisomal carnitine O-octanoyltransferase : in Human