(2R)-2-amino-2-methylpentanoic acid

• ChemBase ID: 812397
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C(=O)([C@](CCC)(C)N)O
• Canonical SMILES: C[C@](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)/t6-/m1/s1
• InChIKey: HBJGLYBWNNQMOW-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-2-methylpentanoic acid
• IUPAC Traditional name: (2R)-2-amino-2-methylpentanoic acid
• Synonyms: (R)-2-AMINO-2-METHYL-PENTANOIC ACID

Database IDs

• CAS Number: 110916-84-2

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

Product Information

• Purity: 98%