methyl 2-(cyclopropylamino)acetate hydrochloride

• ChemBase ID: 235545
• Molecular Formular: C6H12ClNO2
• Molecular Mass: 165.61798
• Monoisotopic Mass: 165.05565631
• SMILES: C1(CC1)NCC(=O)OC.Cl
• Canonical SMILES: COC(=O)CNC1CC1.Cl
• InChI: InChI=1S/C6H11NO2.ClH/c1-9-6(8)4-7-5-2-3-5;/h5,7H,2-4H2,1H3;1H
• InChIKey: BZJWZPHBWGMRNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(cyclopropylamino)acetate hydrochloride
• IUPAC Traditional name: methyl 2-(cyclopropylamino)acetate hydrochloride
• Synonyms: methyl 2-(cyclopropylamino)acetate hydrochloride

Database IDs

• MDL Number: MFCD22196409
• PubChem SID: 164291455
• PubChem CID: 66593236

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.89031255
• LogD (pH = 7.4): -0.13065016
• Log P: -0.103436574
• Molar Refractivity: 32.7583 cm^3
• Polarizability: 13.364334 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): 0.177

Product Information

• Purity: 95%