2-amino-3,3-dimethylbutanoic acid hydrobromide

• ChemBase ID: 252689
• Molecular Formular: C6H14BrNO2
• Molecular Mass: 212.08486
• Monoisotopic Mass: 211.02079069
• SMILES: C(=O)(C(C(C)(C)C)N)O.Br
• Canonical SMILES: NC(C(C)(C)C)C(=O)O.Br
• InChI: InChI=1S/C6H13NO2.BrH/c1-6(2,3)4(7)5(8)9;/h4H,7H2,1-3H3,(H,8,9);1H
• InChIKey: KZZGELWAGRDDRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3,3-dimethylbutanoic acid hydrobromide
• IUPAC Traditional name: 2-amino-3,3-dimethylbutanoic acid hydrobromide
• Synonyms: 2-amino-3,3-dimethylbutanoic acid hydrobromide

Database IDs

• MDL Number: MFCD08457585
• PubChem SID: 164308599
• PubChem CID: 16370086

CALCULATED PROPERTIES

• Acid pKa: 2.7936387
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5744301
• LogD (pH = 7.4): -1.5785921
• Log P: -1.5740803
• Molar Refractivity: 33.891 cm^3
• Polarizability: 13.835553 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.887

Product Information

• Purity: 95%
• Salt Data: HBr