1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate

C23H25F3N2O6 — CID 123812585

IUPAC1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate
SMILESCOC(=O)C1CC2(CC(O)c3c(c(C(F)(F)F)nc4ccccc34)O2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H25F3N2O6/c1-21(2,3)34-20(31)28-11-22(9-14(28)19(30)32-4)10-15(29)16-12-7-5-6-8-13(12)27-18(17(16)33-22)23(24,25)26/h5-8,14-15,29H,9-11H2,1-4H3
InChIKeyGTWNROQNTKGIOE-UHFFFAOYSA-N
MW482.46 g/mol
LogP3.99
Rot. Bonds1

About 1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate

1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate (PubChem CID 123812585) has the molecular formula C23H25F3N2O6 and a molecular weight of 482.46 g/mol. Its IUPAC name is 1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate.

Molecular Properties

Compound Name1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate
PubChem CID123812585
Molecular FormulaC23H25F3N2O6
Molecular Weight482.46 g/mol
Exact Mass482.17
IUPAC Name1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate
SMILESCOC(=O)C1CC2(CC(O)c3c(c(C(F)(F)F)nc4ccccc34)O2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H25F3N2O6/c1-21(2,3)34-20(31)28-11-22(9-14(28)19(30)32-4)10-15(29)16-12-7-5-6-8-13(12)27-18(17(16)33-22)23(24,25)26/h5-8,14-15,29H,9-11H2,1-4H3
InChIKeyGTWNROQNTKGIOE-UHFFFAOYSA-N
XLogP3.99
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate with MolForge

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Related Compounds

1-O'-tert-butyl 2-O'-methyl (2'S)-1-oxo-9-phenylmethoxy-5-(trifluoromethyl)spiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate
CID 144570762
1-O'-tert-butyl 2-O'-methyl (2'S,3S)-5-cyclobutyl-1-hydroxy-9-methoxyspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-5-cyclobutyl-1-hydroxy-9-methoxyspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-5-cyclobutyl-9-methoxy-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-5-cyclobutyl-9-methoxy-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate
CID 159898708
1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate
CID 123164798
1-O'-tert-butyl 2-O'-methyl 6-hydroxy-5-methylspiro[1,2-dihydropyrano[2,3-c]quinolin-6-ium-3,4'-pyrrolidine]-1',2'-dicarboxylate
CID 123761853
1-O'-tert-butyl 2-O'-methyl (2'S)-5-cyclopropyl-1,1-difluoro-9-methoxyspiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S)-5-cyclopropyl-9-methoxy-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate
CID 157241430
2-O-benzyl 1-O-tert-butyl (2S,4R)-4-ethyl-4-fluoropyrrolidine-1,2-dicarboxylate
CID 126653832
2-O-benzyl 1-O-tert-butyl (4R)-4-fluoro-4-methylpyrrolidine-1,2-dicarboxylate
CID 126642822
2-O-tert-butyl 3-O-methyl (3S)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate
CID 15500146
1-O-tert-butyl 2-O,4-O-dimethyl 4-(2-cyanophenyl)pyrrolidine-1,2,4-tricarboxylate
CID 171733426
[1-[9-hydroxy-2'-methoxycarbonyl-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1'-yl]-1-oxonon-8-en-2-yl]carbamic acid
CID 123712385
1-O-tert-butyl 2-O-methyl (2S,4R)-4-[7-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxypyrrolidine-1,2-dicarboxylate
CID 142505563
2-O-benzyl 1-O-tert-butyl (2S,4R)-4-fluoro-4-[(4-methylphenyl)sulfonyloxymethyl]pyrrolidine-1,2-dicarboxylate
CID 170165040

Frequently Asked Questions

What is the IUPAC name of 1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate?
The IUPAC name of 1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate (CID 123812585) is 1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate.
What is the SMILES notation for 1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate?
The canonical SMILES for 1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate is COC(=O)C1CC2(CC(O)c3c(c(C(F)(F)F)nc4ccccc34)O2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate?
The InChIKey is GTWNROQNTKGIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O6/c1-21(2,3)34-20(31)28-11-22(9-14(28)19(30)32-4)10-15(29)16-12-7-5-6-8-13(12)27-18(17(16)33-22)23(24,25)26/h5-8,14-15,29H,9-11H2,1-4H3.
What are the key properties of 1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate?
1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate has a molecular weight of 482.46 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate is sourced from PubChem (CID 123812585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).