ethyl 2-(cyclopentylamino)acetate

• ChemBase ID: 235668
• Molecular Formular: C9H17NO2
• Molecular Mass: 171.23678
• Monoisotopic Mass: 171.12592879
• SMILES: C(=O)(CNC1CCCC1)OCC
• Canonical SMILES: CCOC(=O)CNC1CCCC1
• InChI: InChI=1S/C9H17NO2/c1-2-12-9(11)7-10-8-5-3-4-6-8/h8,10H,2-7H2,1H3
• InChIKey: FTUXHDGZWNYWNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11150381
• PubChem SID: 164291578
• PubChem CID: 13089662

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.18865137
• LogD (pH = 7.4): 1.0420367
• Log P: 1.1425087
• Molar Refractivity: 46.7089 cm^3
• Polarizability: 18.871552 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.594

Product Information

• Purity: 95%