ethyl (2R)-2-amino-4-methylpentanoate hydrochloride

• ChemBase ID: 797309
• Molecular Formular: C8H18ClNO2
• Molecular Mass: 195.68702
• Monoisotopic Mass: 195.1026065
• SMILES: Cl.CC(C)C[C@@H](N)C(=O)OCC
• Canonical SMILES: CCOC(=O)[C@@H](CC(C)C)N.Cl
• InChI: InChI=1S/C8H17NO2.ClH/c1-4-11-8(10)7(9)5-6(2)3;/h6-7H,4-5,9H2,1-3H3;1H/t7-;/m1./s1
• InChIKey: NOUDPBCEONUCOV-OGFXRTJISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2R)-2-amino-4-methylpentanoate hydrochloride
• IUPAC Traditional name: ethyl (2R)-2-amino-4-methylpentanoate hydrochloride
• Synonyms: Ethyl L-leucinate hydrochloride

Database IDs

• CAS Number: 2743-40-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6877783
• LogD (pH = 7.4): 0.8821752
• Log P: 1.1781008
• Molar Refractivity: 43.6886 cm^3
• Polarizability: 17.757055 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%