tert-butyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate

• ChemBase ID: 288643
• Molecular Formular: C10H19NO3
• Molecular Mass: 201.26276
• Monoisotopic Mass: 201.13649347
• SMILES: CC(C)(C)OC(=O)N[C@H]1CC[C@@H](O)C1
• Canonical SMILES: O[C@@H]1CC[C@@H](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)/t7-,8+/m0/s1
• InChIKey: SBUKINULYZANSP-JGVFFNPUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate
• IUPAC Traditional name: tert-butyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate
• Synonyms: tert-Butyl ((1S,3R)-3-hydroxycyclopentyl)carbamate

Database IDs

• CAS Number: 167465-99-8
• MDL Number: MFCD11878011
• PubChem SID: 180674174
• PubChem CID: 21637081

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+%