2-amino-2-methylpentanoic acid

• ChemBase ID: 258426
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C(=O)(C(N)(CCC)C)O
• Canonical SMILES: CC(C(=O)O)(CCC)N
• InChI: InChI=1S/C6H13NO2/c1-3-4-6(2,7)5(8)9/h3-4,7H2,1-2H3,(H,8,9)
• InChIKey: HBJGLYBWNNQMOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methylpentanoic acid
• IUPAC Traditional name: 2-amino-2-methylpentanoic acid
• Synonyms: 2-amino-2-methylpentanoic acid

Database IDs

• CAS Number: 3275-37-4
• MDL Number: MFCD02662613
• PubChem SID: 164314336
• PubChem CID: 229526

CALCULATED PROPERTIES

• Acid pKa: 2.7530105
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.441412
• LogD (pH = 7.4): -1.4425012
• Log P: -1.4410186
• Molar Refractivity: 34.3356 cm^3
• Polarizability: 13.835553 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 269 - 271°C
• Hydrophobicity(logP): -1.56

Product Information

• Purity: 95%; 98%