(2R)-2-amino-5-methylhexanoic acid

• ChemBase ID: 797048
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C(=O)([C@@H](CCC(C)C)N)O
• Canonical SMILES: N[C@@H](C(=O)O)CCC(C)C
• InChI: InChI=1S/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1
• InChIKey: FMUMEWVNYMUECA-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-5-methylhexanoic acid
• IUPAC Traditional name: (2R)-2-amino-5-methylhexanoic acid
• Synonyms: (R)-2-AMino-5-Methylhexanoic acid

Database IDs

• CAS Number: 138751-02-7

CALCULATED PROPERTIES

• Acid pKa: 2.8459175
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1419102
• LogD (pH = 7.4): -1.1441424
• Log P: -1.1414474
• Molar Refractivity: 38.7719 cm^3
• Polarizability: 15.66981 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%