1-tert-butyl 2-{8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl} (2S)-pyrrolidine-1,2-dicarboxylate

• ChemBase ID: 197622
• Molecular Formular: C24H25NO7
• Molecular Mass: 439.4578
• Monoisotopic Mass: 439.16310215
• SMILES: C(=O)(N1[C@H](C(=O)Oc2cc3oc(=O)c4c(c3cc2)ccc(c4)OC)CCC1)OC(C)(C)C
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1)OC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C24H25NO7/c1-24(2,3)32-23(28)25-11-5-6-19(25)22(27)30-15-8-10-17-16-9-7-14(29-4)12-18(16)21(26)31-20(17)13-15/h7-10,12-13,19H,5-6,11H2,1-4H3/t19-/m0/s1
• InChIKey: CZWRFUBCRRKLNK-IBGZPJMESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butyl 2-{8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl} (2S)-pyrrolidine-1,2-dicarboxylate
• IUPAC Traditional name: 1-tert-butyl 2-{8-methoxy-6-oxobenzo[c]chromen-3-yl} (2S)-pyrrolidine-1,2-dicarboxylate

Database IDs

• PubChem SID: 164253532
• PubChem CID: 16399005

CALCULATED PROPERTIES

• Log P: 3.7843146
• Molar Refractivity: 114.9504 cm^3
• Polarizability: 45.972004 Å^3
• Polar Surface Area: 91.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7843146
• LogD (pH = 7.4): 3.7843146

PROPERTIES

Product Information

• Description: L-isomer
• Classification: Derivatives & analogs of Natural Compounds