tert-butyl N-(2-hydroxycyclopentyl)carbamate

• ChemBase ID: 259849
• Molecular Formular: C10H19NO3
• Molecular Mass: 201.26276
• Monoisotopic Mass: 201.13649347
• SMILES: C(=O)(NC1C(O)CCC1)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NC1CCCC1O
• InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(7)12/h7-8,12H,4-6H2,1-3H3,(H,11,13)
• InChIKey: CGZQRJSADXRRKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09261198
• PubChem SID: 164315759
• PubChem CID: 494370

CALCULATED PROPERTIES

• Acid pKa: 14.207967
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1464368
• LogD (pH = 7.4): 1.1464367
• Log P: 1.1464368
• Molar Refractivity: 52.5665 cm^3
• Polarizability: 20.97339 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.356

Product Information

• Purity: 95%