methyl 2-[(cyclopropylmethyl)amino]acetate hydrochloride

• ChemBase ID: 268307
• Molecular Formular: C7H14ClNO2
• Molecular Mass: 179.64456
• Monoisotopic Mass: 179.07130637
• SMILES: C1CC1CNCC(=O)OC.Cl
• Canonical SMILES: COC(=O)CNCC1CC1.Cl
• InChI: InChI=1S/C7H13NO2.ClH/c1-10-7(9)5-8-4-6-2-3-6;/h6,8H,2-5H2,1H3;1H
• InChIKey: NIYOHPIJDHJQIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(cyclopropylmethyl)amino]acetate hydrochloride
• IUPAC Traditional name: methyl 2-[(cyclopropylmethyl)amino]acetate hydrochloride
• Synonyms: methyl 2-[(cyclopropylmethyl)amino]acetate hydrochloride

Database IDs

• MDL Number: MFCD16622080
• PubChem SID: 164324217
• PubChem CID: 47003276

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0388582
• LogD (pH = 7.4): 0.12752315
• Log P: 0.21157616
• Molar Refractivity: 37.4891 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136°C
• Hydrophobicity(logP): 0.566

Product Information

• Purity: 95%