ethyl 2-(cyclopropylamino)acetate

• ChemBase ID: 259024
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C1(CC1)NCC(=O)OCC
• Canonical SMILES: CCOC(=O)CNC1CC1
• InChI: InChI=1S/C7H13NO2/c1-2-10-7(9)5-8-6-3-4-6/h6,8H,2-5H2,1H3
• InChIKey: VOZPZBSGYPGXEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11149655
• PubChem SID: 164314934
• PubChem CID: 22476174

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5331263
• LogD (pH = 7.4): 0.22618532
• Log P: 0.2533714
• Molar Refractivity: 37.5069 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

• Hydrophobicity(logP): 0.476

Product Information

• Purity: 95%