tert-butyl N-(2-aminocyclopentyl)carbamate

• ChemBase ID: 259196
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: C(=O)(NC1C(N)CCC1)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NC1CCCC1N
• InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7(8)11/h7-8H,4-6,11H2,1-3H3,(H,12,13)
• InChIKey: PAXDIBGWURAVIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12197338
• PubChem SID: 164315106
• PubChem CID: 22667934

CALCULATED PROPERTIES

• Acid pKa: 14.891059
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9451817
• LogD (pH = 7.4): -0.9815281
• Log P: 1.039555
• Molar Refractivity: 54.224 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.43

Product Information

• Purity: 95%