(2S)-2-amino-4-methylpentanamide hydrochloride

• ChemBase ID: 796632
• Molecular Formular: C6H15ClN2O
• Molecular Mass: 166.6491
• Monoisotopic Mass: 166.08729079
• SMILES: Cl.CC(C)C[C@H](N)C(=O)N
• Canonical SMILES: N[C@H](C(=O)N)CC(C)C.Cl
• InChI: InChI=1S/C6H14N2O.ClH/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H/t5-;/m0./s1
• InChIKey: VSPSRRBIXFUMOU-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-4-methylpentanamide hydrochloride
• IUPAC Traditional name: (2S)-2-amino-4-methylpentanamide hydrochloride
• Synonyms: L-LeucinaMide hydrochloride

Database IDs

• CAS Number: 10466-61-2

CALCULATED PROPERTIES

• Acid pKa: 16.691843
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8148656
• LogD (pH = 7.4): -1.2047069
• Log P: -0.13154377
• Molar Refractivity: 35.9931 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%