2(S)-Amino-6-Boronohexanoic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.

L-alpha-amino acids

Organic compounds

Organic acids and derivatives

Carboxylic acids and derivatives

Amino acids, peptides, and analogues

Calculated Property

kind Value Source
logP -2.9 ALOGPS
logS -1.9 ALOGPS
Water Solubility 2.83e+00 g/l ALOGPS
logP -5 ChemAxon
IUPAC Name [(5S)-5-amino-5-carboxypentyl]trihydroxyboranuide ChemAxon
Traditional IUPAC Name [(5S)-5-amino-5-carboxypentyl]trihydroxyboranuide ChemAxon
Molecular Weight 191.998 ChemAxon
Monoisotopic Weight 192.104328061 ChemAxon
SMILES N[C@@H](CCCC[B-](O)(O)O)C(O)=O ChemAxon
Molecular Formula C6H15BNO5 ChemAxon
InChI InChI=1S/C6H15BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h5,11-13H,1-4,8H2,(H,9,10)/q-1/t5-/m0/s1 ChemAxon
InChIKey InChIKey=BLVGFZFOWWBCCZ-YFKPBYRVSA-N ChemAxon
Polar Surface Area (PSA) 124.01 ChemAxon
Refractivity 40.88 ChemAxon
Polarizability 19.64 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 6 ChemAxon
H Bond Donor Count 5 ChemAxon
pKa (strongest acidic) 1.9 ChemAxon
pKa (strongest basic) 9.53 ChemAxon
Physiological Charge -1 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

  • Arginase-1 : in Human