hydrogen methyl 2-amino-4-methylpentanoate chloride

• ChemBase ID: 294400
• Molecular Formular: C7H15ClNO2-
• Molecular Mass: 180.6525
• Monoisotopic Mass: 180.07913141
• SMILES: C(C(C)C)C(N)C(=O)OC.[Cl-]
• Canonical SMILES: COC(=O)C(CC(C)C)N.[Cl-]
• InChI: InChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/p-1
• InChIKey: DODCBMODXGJOKD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen methyl 2-amino-4-methylpentanoate chloride
• IUPAC Traditional name: hydrogen methyl 2-amino-4-methylpentanoate chloride
• Synonyms: L-Leucine methyl ester hydrochloride

Database IDs

• CAS Number: 7517-19-3
• MDL Number: MFCD00012494
• PubChem SID: 180679931
• PubChem CID: 45155999

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0448902
• LogD (pH = 7.4): 0.5252041
• Log P: 0.8212929
• Molar Refractivity: 38.94 cm^3
• Polarizability: 15.9186325 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%