4-amino-2,2-dimethylbutanoic acid

• ChemBase ID: 308434
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C(=O)(C(CCN)(C)C)O
• Canonical SMILES: NCCC(C(=O)O)(C)C
• InChI: InChI=1S/C6H13NO2/c1-6(2,3-4-7)5(8)9/h3-4,7H2,1-2H3,(H,8,9)
• InChIKey: SBEOMMHBZTWQLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-2,2-dimethylbutanoic acid
• IUPAC Traditional name: 4-amino-2,2-dimethylbutanoic acid
• Synonyms: 4-amino-2,2-dimethylbutanoic acid

Database IDs

• CAS Number: 138146-22-2
• MDL Number: MFCD01076202

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8284535
• LogD (pH = 7.4): -1.7864048
• Log P: -1.7868952
• Molar Refractivity: 34.5333 cm^3
• Polarizability: 13.835553 Å^3
• Polar Surface Area: 63.32 Å^2