methyl (2R)-2-amino-3-cyclohexylpropanoate hydrochloride

• ChemBase ID: 290982
• Molecular Formular: C10H20ClNO2
• Molecular Mass: 221.7243
• Monoisotopic Mass: 221.11825657
• SMILES: O=C(OC)[C@H](N)CC1CCCCC1.Cl
• Canonical SMILES: COC(=O)[C@@H](CC1CCCCC1)N.Cl
• InChI: InChI=1S/C10H19NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h8-9H,2-7,11H2,1H3;1H/t9-;/m1./s1
• InChIKey: YLESODBCBYZUCT-SBSPUUFOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2R)-2-amino-3-cyclohexylpropanoate hydrochloride
• IUPAC Traditional name: methyl (2R)-2-amino-3-cyclohexylpropanoate hydrochloride
• Synonyms: (R)-Methyl 2-amino-3-cyclohexylpropanoate hydrochloride

Database IDs

• CAS Number: 144644-00-8
• PubChem SID: 180676513
• PubChem CID: 56777179

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.1743499
• LogD (pH = 7.4): 1.3954848
• Log P: 1.691273
• Molar Refractivity: 50.9408 cm^3
• Polarizability: 20.710838 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%