tert-butyl N-(azetidin-3-yl)-N-ethylcarbamate

• ChemBase ID: 162571
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: C1(N(C(=O)OC(C)(C)C)CC)CNC1
• Canonical SMILES: CCN(C(=O)OC(C)(C)C)C1CNC1
• InChI: InChI=1S/C10H20N2O2/c1-5-12(8-6-11-7-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3
• InChIKey: JSDWCZZDKHFHKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(azetidin-3-yl)-N-ethylcarbamate
• IUPAC Traditional name: tert-butyl N-(azetidin-3-yl)-N-ethylcarbamate
• Synonyms: tert-Butyl N-(azetidin-3-yl)-N-(ethyl)carbamate; N-3-Azetidinyl-N-ethylcarbamic Acid 1,1-Dimethylethyl Ester; 3-(N-Boc-ethylamino) Azetidine

Database IDs

• CAS Number: 929716-69-8
• PubChem SID: 162256706
• PubChem CID: 53404741

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1104586
• LogD (pH = 7.4): -0.71668065
• Log P: 0.9709613
• Molar Refractivity: 54.8627 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - B653440

An Azetidine derivative used in the preparation of modulators of histamine H4 receptor activity.