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

C108H132N8O28 — CID 159898708

About 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

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 (PubChem CID 159898708) has the molecular formula C108H132N8O28 and a molecular weight of 1990.27 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159898708
• Molecular Formula: C108H132N8O28
• Molecular Weight: 1990.27 g/mol
• Exact Mass: 1988.92
• IUPAC Name: 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
• SMILES: COC(=O)[C@@H]1C[C@@]2(CC(=O)c3c(c(C4CCC4)nc4ccc(OC)cc34)O2)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@@]2(CC(O)c3c(c(C4CCC4)nc4ccc(OC)cc34)O2)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@]2(CC(=O)c3c(c(C4CCC4)nc4ccc(OC)cc34)O2)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@]2(CC(O)c3c(c(C4CCC4)nc4ccc(OC)cc34)O2)CN1C(=O)OC(C)(C)C
• InChI: InChI=1S/2C27H34N2O7.2C27H32N2O7/c4*1-26(2,3)36-25(32)29-14-27(12-19(29)24(31)34-5)13-20(30)21-17-11-16(33-4)9-10-18(17)28-22(23(21)35-27)15-7-6-8-15/h2*9-11,15,19-20,30H,6-8,12-14H2,1-5H3;2*9-11,15,19H,6-8,12-14H2,1-5H3/t19-,20?,27+;19-,20?,27-;19-,27+;19-,27-/m0000/s1
• InChIKey: NVRFQTAAHXWEBU-PELLXIJLSA-N
• XLogP: 17.29
• TPSA: 423.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1990.27
LogP ≤ 5	17.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COC(=O)[C@@H]1C[C@@]2(CC(=O)c3c(c(C4CCC4)nc4ccc(OC)cc34)O2)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@@]2(CC(O)c3c(c(C4CCC4)nc4ccc(OC)cc34)O2)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@]2(CC(=O)c3c(c(C4CCC4)nc4ccc(OC)cc34)O2)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@]2(CC(O)c3c(c(C4CCC4)nc4ccc(OC)cc34)O2)CN1C(=O)OC(C)(C)C.

What is the InChIKey of 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?

The InChIKey is NVRFQTAAHXWEBU-PELLXIJLSA-N. The full InChI is InChI=1S/2C27H34N2O7.2C27H32N2O7/c4*1-26(2,3)36-25(32)29-14-27(12-19(29)24(31)34-5)13-20(30)21-17-11-16(33-4)9-10-18(17)28-22(23(21)35-27)15-7-6-8-15/h2*9-11,15,19-20,30H,6-8,12-14H2,1-5H3;2*9-11,15,19H,6-8,12-14H2,1-5H3/t19-,20?,27+;19-,20?,27-;19-,27+;19-,27-/m0000/s1.

What are the key properties of 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?

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 has a molecular weight of 1990.27 g/mol, XLogP of 17.29, 12 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159898708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).