Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

N-acyl-alpha amino acids

Organic compounds

Organic acids and derivatives

Carboxylic acids and derivatives

Amino acids, peptides, and analogues

Calculated Property

kind Value Source
logP 1.5 ALOGPS
logS -2.9 ALOGPS
Water Solubility 3.20e-01 g/l ALOGPS
logP 1.41 ChemAxon
IUPAC Name (2S)-2-(furan-2-ylformamido)-4-methylpentanoic acid ChemAxon
Traditional IUPAC Name furoyl-leucine ChemAxon
Molecular Weight 225.2411 ChemAxon
Monoisotopic Weight 225.100107973 ChemAxon
SMILES [H][C@@](CC(C)C)(NC(=O)C1=CC=CO1)C(O)=O ChemAxon
Molecular Formula C11H15NO4 ChemAxon
InChI InChI=1S/C11H15NO4/c1-7(2)6-8(11(14)15)12-10(13)9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1 ChemAxon
Polar Surface Area (PSA) 79.54 ChemAxon
Refractivity 56.68 ChemAxon
Polarizability 23.16 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 3.9 ChemAxon
pKa (strongest basic) -3.4 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Disintegrin and metalloproteinase domain-containing protein 28 : in Human