1-O'-tert-butyl 2-O'-methyl (2'S,3R)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3R)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3S)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid

C124H165F4N9O20 — CID 159845432

About 1-O'-tert-butyl 2-O'-methyl (2'S,3R)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3R)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3S)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid

1-O'-tert-butyl 2-O'-methyl (2'S,3R)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3R)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3S)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid (PubChem CID 159845432) has the molecular formula C124H165F4N9O20 and a molecular weight of 2177.72 g/mol. Its IUPAC name is 1-O'-tert-butyl 2-O'-methyl (2'S,3R)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3R)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3S)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid.

Molecular Properties

• Compound Name: 1-O'-tert-butyl 2-O'-methyl (2'S,3R)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3R)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3S)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid
• PubChem CID: 159845432
• Molecular Formula: C124H165F4N9O20
• Molecular Weight: 2177.72 g/mol
• Exact Mass: 2176.21
• IUPAC Name: 1-O'-tert-butyl 2-O'-methyl (2'S,3R)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3R)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3S)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid
• SMILES: C1CCC(NC2CCCCC2)CC1.C=CCCCCC[C@H](C)C(=O)N1C[C@@]2(CCc3c(c(C)nc4c(F)cccc34)O2)C[C@H]1C(=O)OC.C=CCCCCC[C@H](C)C(=O)N1C[C@]2(CCc3c(c(C)nc4c(F)cccc34)O2)C[C@H]1C(=O)OC.C=CCCCCC[C@H](C)C(=O)O.COC(=O)[C@@H]1C[C@@]2(CCc3c(c(C)nc4c(F)cccc34)O2)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@]2(CCc3c(c(C)nc4c(F)cccc34)O2)CN1C(=O)OC(C)(C)C
• InChI: InChI=1S/2C28H35FN2O4.2C23H27FN2O5.C12H23N.C10H18O2/c2*1-5-6-7-8-9-11-18(2)26(32)31-17-28(16-23(31)27(33)34-4)15-14-21-20-12-10-13-22(29)24(20)30-19(3)25(21)35-28;2*1-13-19-15(14-7-6-8-16(24)18(14)25-13)9-10-23(30-19)11-17(20(27)29-5)26(12-23)21(28)31-22(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-4-5-6-7-8-9(2)10(11)12/h2*5,10,12-13,18,23H,1,6-9,11,14-17H2,2-4H3;2*6-8,17H,9-12H2,1-5H3;11-13H,1-10H2;3,9H,1,4-8H2,2H3,(H,11,12)/t18-,23-,28+;18-,23-,28-;17-,23+;17-,23-;;9-/m0000.0/s1
• InChIKey: DSGDNHAJTRHKTK-JPDWQZOPSA-N
• XLogP: 24.53
• TPSA: 342.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2177.72
LogP ≤ 5	24.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-O'-tert-butyl 2-O'-methyl (2'S,3R)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3R)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3S)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid?

The IUPAC name of 1-O'-tert-butyl 2-O'-methyl (2'S,3R)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3R)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3S)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid (CID 159845432) is 1-O'-tert-butyl 2-O'-methyl (2'S,3R)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3R)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3S)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid.

What is the SMILES notation for 1-O'-tert-butyl 2-O'-methyl (2'S,3R)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3R)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3S)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid?

The canonical SMILES for 1-O'-tert-butyl 2-O'-methyl (2'S,3R)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3R)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3S)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid is C1CCC(NC2CCCCC2)CC1.C=CCCCCC[C@H](C)C(=O)N1C[C@@]2(CCc3c(c(C)nc4c(F)cccc34)O2)C[C@H]1C(=O)OC.C=CCCCCC[C@H](C)C(=O)N1C[C@]2(CCc3c(c(C)nc4c(F)cccc34)O2)C[C@H]1C(=O)OC.C=CCCCCC[C@H](C)C(=O)O.COC(=O)[C@@H]1C[C@@]2(CCc3c(c(C)nc4c(F)cccc34)O2)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@]2(CCc3c(c(C)nc4c(F)cccc34)O2)CN1C(=O)OC(C)(C)C.

What is the InChIKey of 1-O'-tert-butyl 2-O'-methyl (2'S,3R)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3R)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3S)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid?

The InChIKey is DSGDNHAJTRHKTK-JPDWQZOPSA-N. The full InChI is InChI=1S/2C28H35FN2O4.2C23H27FN2O5.C12H23N.C10H18O2/c2*1-5-6-7-8-9-11-18(2)26(32)31-17-28(16-23(31)27(33)34-4)15-14-21-20-12-10-13-22(29)24(20)30-19(3)25(21)35-28;2*1-13-19-15(14-7-6-8-16(24)18(14)25-13)9-10-23(30-19)11-17(20(27)29-5)26(12-23)21(28)31-22(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-4-5-6-7-8-9(2)10(11)12/h2*5,10,12-13,18,23H,1,6-9,11,14-17H2,2-4H3;2*6-8,17H,9-12H2,1-5H3;11-13H,1-10H2;3,9H,1,4-8H2,2H3,(H,11,12)/t18-,23-,28+;18-,23-,28-;17-,23+;17-,23-;;9-/m0000.0/s1.

What are the key properties of 1-O'-tert-butyl 2-O'-methyl (2'S,3R)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3R)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3S)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid?

1-O'-tert-butyl 2-O'-methyl (2'S,3R)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3R)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3S)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid has a molecular weight of 2177.72 g/mol, XLogP of 24.53, 27 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O'-tert-butyl 2-O'-methyl (2'S,3R)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3R)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3S)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid is sourced from PubChem (CID 159845432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).