2,4-Diaminobutyric Acid

Synonyms :
alpha,gamma-Diaminobutyrate, L-2,4-Diaminobutanoate, L-2,4-Diaminobutyrate

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

Chemical Name

alpha,gamma-Diaminobutyrate

Calculated Property

kind Value Source
logP -3.7 ALOGPS
logS 0.36 ALOGPS
Water Solubility 2.70e+02 g/l ALOGPS
logP -4 ChemAxon
IUPAC Name (2S)-2,4-diaminobutanoic acid ChemAxon
Traditional IUPAC Name 2,4-diaminobutyric acid ChemAxon
Molecular Weight 118.1344 ChemAxon
Monoisotopic Weight 118.074227574 ChemAxon
SMILES NCC[C@H](N)C(O)=O ChemAxon
Molecular Formula C4H10N2O2 ChemAxon
InChI InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1 ChemAxon
InChIKey InChIKey=OGNSCSPNOLGXSM-VKHMYHEASA-N ChemAxon
Polar Surface Area (PSA) 89.34 ChemAxon
Refractivity 28.56 ChemAxon
Polarizability 11.89 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 2.55 ChemAxon
pKa (strongest basic) 10.25 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

  • Envelope glycoprotein gp160 : in HIV-1