tert-butyl N-[(2-hydroxycyclopentyl)methyl]carbamate

• ChemBase ID: 283415
• Molecular Formular: C11H21NO3
• Molecular Mass: 215.28934
• Monoisotopic Mass: 215.15214354
• SMILES: C(=O)(NCC1C(O)CCC1)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NCC1CCCC1O
• InChI: InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-8-5-4-6-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,12,14)
• InChIKey: SWYKJBCLLWWIHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20502006
• PubChem SID: 180668946
• PubChem CID: 54595768

CALCULATED PROPERTIES

• Acid pKa: 14.8301115
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1911913
• LogD (pH = 7.4): 1.1911913
• Log P: 1.1911913
• Molar Refractivity: 57.5065 cm^3
• Polarizability: 22.806097 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.769

Product Information

• Purity: 95%