methyl 2-(cyclopropylamino)propanoate

• ChemBase ID: 271932
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C(=O)(C(NC1CC1)C)OC
• Canonical SMILES: COC(=O)C(NC1CC1)C
• InChI: InChI=1S/C7H13NO2/c1-5(7(9)10-2)8-6-3-4-6/h5-6,8H,3-4H2,1-2H3
• InChIKey: HAOGZMWLQGAHRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12151492
• PubChem SID: 164327842
• PubChem CID: 50989096

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.4077672
• LogD (pH = 7.4): 0.43121982
• Log P: 0.46532768
• Molar Refractivity: 37.2522 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.486

Product Information

• Purity: 95%