(2R)-2-amino-4-bromobutanoic acid hydrobromide

• ChemBase ID: 125051
• Molecular Formular: C4H9Br2NO2
• Molecular Mass: 262.92776
• Monoisotopic Mass: 260.90000253
• SMILES: Br.BrCC[C@@H](N)C(=O)O
• Canonical SMILES: N[C@@H](C(=O)O)CCBr.Br
• InChI: InChI=1S/C4H8BrNO2.BrH/c5-2-1-3(6)4(7)8;/h3H,1-2,6H2,(H,7,8);1H/t3-;/m1./s1
• InChIKey: JDLMXICGDYZOJH-AENDTGMFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-4-bromobutanoic acid hydrobromide
• IUPAC Traditional name: (2R)-2-amino-4-bromobutanoic acid hydrobromide
• Synonyms: R-2-Amino-4-bromobutyric acid hydrobromide; R-2-氨基-4-溴丁酸氢溴酸盐

Database IDs

• PubChem SID: 162219401
• PubChem CID: 71308127

CALCULATED PROPERTIES

• Acid pKa: 1.3648907
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2881725
• LogD (pH = 7.4): -2.2913399
• Log P: -2.2882016
• Molar Refractivity: 32.9409 cm^3
• Polarizability: 13.150059 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true