ethyl 3-(cyclopropylamino)propanoate

• ChemBase ID: 264208
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C(=O)(CCNC1CC1)OCC
• Canonical SMILES: CCOC(=O)CCNC1CC1
• InChI: InChI=1S/C8H15NO2/c1-2-11-8(10)5-6-9-7-3-4-7/h7,9H,2-6H2,1H3
• InChIKey: ZRPBEAVKOMELBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(cyclopropylamino)propanoate
• IUPAC Traditional name: ethyl 3-(cyclopropylamino)propanoate
• Synonyms: ethyl 3-(cyclopropylamino)propanoate

Database IDs

• MDL Number: MFCD11651271
• PubChem SID: 164320118
• PubChem CID: 13456042

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.653045
• LogD (pH = 7.4): -1.4291219
• Log P: 0.49038413
• Molar Refractivity: 42.2063 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.019

Product Information

• Purity: 95%