2-(furan-2-yl)-2-oxo-N-[(2R)-oxolan-2-ylmethyl]acetamide

• ChemBase ID: 752366
• Molecular Formular: C11H13NO4
• Molecular Mass: 223.22522
• Monoisotopic Mass: 223.0844579
• SMILES: C(=O)(C(=O)NC[C@@H]1OCCC1)c1occc1
• Canonical SMILES: O=C(C(=O)c1ccco1)NC[C@H]1CCCO1
• InChI: InChI=1S/C11H13NO4/c13-10(9-4-2-6-16-9)11(14)12-7-8-3-1-5-15-8/h2,4,6,8H,1,3,5,7H2,(H,12,14)/t8-/m1/s1
• InChIKey: UCTHXCDDYVURHO-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-2-oxo-N-[(2R)-oxolan-2-ylmethyl]acetamide
• IUPAC Traditional name: 2-(furan-2-yl)-2-oxo-N-[(2R)-oxolan-2-ylmethyl]acetamide
• Synonyms: 2-(2-furyl)-2-oxo-N-[(2R)-tetrahydro-2-furanylmethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.526203
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.38605624
• LogD (pH = 7.4): 0.38602784
• Log P: 0.3860566
• Molar Refractivity: 55.6202 cm^3
• Polarizability: 21.405418 Å^3
• Polar Surface Area: 68.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.74
• LOG S: -1.88
• Polar Surface Area: 68.54 Å^2
• Rotatable Bonds: 4