tert-butyl N-(3-hydroxycyclopentyl)carbamate

• ChemBase ID: 287692
• Molecular Formular: C10H19NO3
• Molecular Mass: 201.26276
• Monoisotopic Mass: 201.13649347
• SMILES: O=C(OC(C)(C)C)NC1CC(O)CC1
• Canonical SMILES: OC1CCC(C1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-7-4-5-8(12)6-7/h7-8,12H,4-6H2,1-3H3,(H,11,13)
• InChIKey: SBUKINULYZANSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(3-hydroxycyclopentyl)carbamate
• IUPAC Traditional name: tert-butyl N-(3-hydroxycyclopentyl)carbamate
• Synonyms: tert-Butyl 3-hydroxycyclopentylcarbamate; tert-Butyl (3-hydroxycyclopentyl)carbaMate

Database IDs

• CAS Number: 1154870-59-3
• MDL Number: MFCD11975351
• PubChem SID: 180673223
• PubChem CID: 23568739

CALCULATED PROPERTIES

• Acid pKa: 14.846884
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.7618278
• LogD (pH = 7.4): 0.7618278
• Log P: 0.7618278
• Molar Refractivity: 52.8309 cm^3
• Polarizability: 20.97339 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%