methyl N-{2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl}carbamate

• ChemBase ID: 726341
• Molecular Formular: C14H18N2O5
• Molecular Mass: 294.30312
• Monoisotopic Mass: 294.12157169
• SMILES: N1(C(=O)CNC(=O)OC)CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: COC(=O)NCC(=O)N1CC(C1)Oc1ccccc1OC
• InChI: InChI=1S/C14H18N2O5/c1-19-11-5-3-4-6-12(11)21-10-8-16(9-10)13(17)7-15-14(18)20-2/h3-6,10H,7-9H2,1-2H3,(H,15,18)
• InChIKey: OCWUGOVUQOQYJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl N-{2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl}carbamate
• IUPAC Traditional name: methyl N-{2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl}carbamate
• Synonyms: methyl {2-[3-(2-methoxyphenoxy)-1-azetidinyl]-2-oxoethyl}carbamate (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.027877
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.30569217
• LogD (pH = 7.4): 0.30569127
• Log P: 0.30569217
• Molar Refractivity: 73.403 cm^3
• Polarizability: 28.885813 Å^3
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.65
• LOG S: -1.9
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 6