tert-butyl N-(2-oxocyclopentyl)carbamate

• ChemBase ID: 238209
• Molecular Formular: C10H17NO3
• Molecular Mass: 199.24688
• Monoisotopic Mass: 199.12084341
• SMILES: C(=O)(NC1C(=O)CCC1)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NC1CCCC1=O
• InChI: InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(7)12/h7H,4-6H2,1-3H3,(H,11,13)
• InChIKey: UXSQXOIYRVCHBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(2-oxocyclopentyl)carbamate
• IUPAC Traditional name: tert-butyl N-(2-oxocyclopentyl)carbamate
• Synonyms: tert-butyl N-(2-oxocyclopentyl)carbamate

Database IDs

• MDL Number: MFCD09751874
• PubChem SID: 164294119
• PubChem CID: 357962

CALCULATED PROPERTIES

• Acid pKa: 13.787733
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5577753
• LogD (pH = 7.4): 1.5577751
• Log P: 1.5577753
• Molar Refractivity: 51.6691 cm^3
• Polarizability: 20.43282 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.224

Product Information

• Purity: 95%