1-[(2R,5R)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]pyrrolidine-2,5-dione

• ChemBase ID: 181895
• Molecular Formular: C10H11NO5
• Molecular Mass: 225.19804
• Monoisotopic Mass: 225.06372246
• SMILES: N1([C@H]2C3O[C@H](C(=O)C2)OC3)C(=O)CCC1=O
• Canonical SMILES: O=C1C[C@H](C2O[C@H]1OC2)N1C(=O)CCC1=O
• InChI: InChI=1S/C10H11NO5/c12-6-3-5(7-4-15-10(6)16-7)11-8(13)1-2-9(11)14/h5,7,10H,1-4H2/t5-,7?,10-/m1/s1
• InChIKey: MWNPFZGFCGCPRJ-VWRUBDDNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2R,5R)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]pyrrolidine-2,5-dione
• IUPAC Traditional name: 1-[(2R,5R)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]pyrrolidine-2,5-dione

Database IDs

• PubChem SID: 164237805
• PubChem CID: 25088381

CALCULATED PROPERTIES

• Acid pKa: 14.75915
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.7684244
• LogD (pH = 7.4): -0.7684244
• Log P: -0.7684244
• Molar Refractivity: 49.3186 cm^3
• Polarizability: 19.92446 Å^3
• Polar Surface Area: 72.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds