methyl 2-amino-2-cyclopropylpropanoate hydrochloride

• ChemBase ID: 255983
• Molecular Formular: C7H14ClNO2
• Molecular Mass: 179.64456
• Monoisotopic Mass: 179.07130637
• SMILES: C(C1CC1)(C(=O)OC)(N)C.Cl
• Canonical SMILES: COC(=O)C(C1CC1)(N)C.Cl
• InChI: InChI=1S/C7H13NO2.ClH/c1-7(8,5-3-4-5)6(9)10-2;/h5H,3-4,8H2,1-2H3;1H
• InChIKey: VTHVFYRNSKLALD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-2-cyclopropylpropanoate hydrochloride
• IUPAC Traditional name: methyl 2-amino-2-cyclopropylpropanoate hydrochloride
• Synonyms: methyl 2-amino-2-cyclopropylpropanoate hydrochloride

Database IDs

• MDL Number: MFCD19686207
• PubChem SID: 164311893
• PubChem CID: 53534225

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7323366
• LogD (pH = 7.4): -0.061837155
• Log P: 0.42371795
• Molar Refractivity: 37.1731 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124 - 126°C
• Hydrophobicity(logP): 0.754

Product Information

• Purity: 95%