ethyl 2-[(2-cyanoethyl)(cyclopropyl)amino]acetate

• ChemBase ID: 263265
• Molecular Formular: C10H16N2O2
• Molecular Mass: 196.24624
• Monoisotopic Mass: 196.12117776
• SMILES: C1(CC1)N(CC(=O)OCC)CCC#N
• Canonical SMILES: CCOC(=O)CN(C1CC1)CCC#N
• InChI: InChI=1S/C10H16N2O2/c1-2-14-10(13)8-12(7-3-6-11)9-4-5-9/h9H,2-5,7-8H2,1H3
• InChIKey: ZDRPMNISRPOWRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(2-cyanoethyl)(cyclopropyl)amino]acetate
• IUPAC Traditional name: ethyl 2-[(2-cyanoethyl)(cyclopropyl)amino]acetate
• Synonyms: ethyl 2-[(2-cyanoethyl)(cyclopropyl)amino]acetate

Database IDs

• MDL Number: MFCD13196022
• PubChem SID: 164319175
• PubChem CID: 45792282

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.37362415
• LogD (pH = 7.4): 0.4088955
• Log P: 0.40936422
• Molar Refractivity: 52.5649 cm^3
• Polarizability: 20.572672 Å^3
• Polar Surface Area: 53.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.171

Product Information

• Purity: 95%