cyclopropylmethyl 2-aminoacetate hydrochloride

• ChemBase ID: 268058
• Molecular Formular: C6H12ClNO2
• Molecular Mass: 165.61798
• Monoisotopic Mass: 165.05565631
• SMILES: C1(CC1)COC(=O)CN.Cl
• Canonical SMILES: NCC(=O)OCC1CC1.Cl
• InChI: InChI=1S/C6H11NO2.ClH/c7-3-6(8)9-4-5-1-2-5;/h5H,1-4,7H2;1H
• InChIKey: JOURVFCJBZTRLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropylmethyl 2-aminoacetate hydrochloride
• IUPAC Traditional name: cyclopropylmethyl 2-aminoacetate hydrochloride
• Synonyms: cyclopropylmethyl 2-aminoacetate hydrochloride

Database IDs

• MDL Number: MFCD16547710
• PubChem SID: 164323968
• PubChem CID: 47003206

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8061538
• LogD (pH = 7.4): -0.39375702
• Log P: -0.22100423
• Molar Refractivity: 32.7145 cm^3
• Polarizability: 13.364334 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126 - 128°C
• Hydrophobicity(logP): 0.225

Product Information

• Purity: 95%