1-O'-tert-butyl 2-O'-methyl (2'S,3S)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3S)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3R)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid

C124H157F4N9O24 — CID 157145589

About 1-O'-tert-butyl 2-O'-methyl (2'S,3S)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3S)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3R)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid

1-O'-tert-butyl 2-O'-methyl (2'S,3S)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3S)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3R)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid (PubChem CID 157145589) has the molecular formula C124H157F4N9O24 and a molecular weight of 2233.65 g/mol. Its IUPAC name is 1-O'-tert-butyl 2-O'-methyl (2'S,3S)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3S)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3R)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[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,3S)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3S)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3R)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid
• PubChem CID: 157145589
• Molecular Formula: C124H157F4N9O24
• Molecular Weight: 2233.65 g/mol
• Exact Mass: 2232.13
• IUPAC Name: 1-O'-tert-butyl 2-O'-methyl (2'S,3S)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3S)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3R)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[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(CC(=O)c3c(c(C)nc4ccc(F)cc34)O2)C[C@H]1C(=O)OC.C=CCCCCC[C@H](C)C(=O)N1C[C@]2(CC(=O)c3c(c(C)nc4ccc(F)cc34)O2)C[C@H]1C(=O)OC.C=CCCCCC[C@H](C)C(=O)O.COC(=O)[C@@H]1C[C@@]2(CC(=O)c3c(c(C)nc4ccc(F)cc34)O2)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@]2(CC(=O)c3c(c(C)nc4ccc(F)cc34)O2)CN1C(=O)OC(C)(C)C
• InChI: InChI=1S/2C28H33FN2O5.2C23H25FN2O6.C12H23N.C10H18O2/c2*1-5-6-7-8-9-10-17(2)26(33)31-16-28(14-22(31)27(34)35-4)15-23(32)24-20-13-19(29)11-12-21(20)30-18(3)25(24)36-28;2*1-12-19-18(14-8-13(24)6-7-15(14)25-12)17(27)10-23(31-19)9-16(20(28)30-5)26(11-23)21(29)32-22(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*5,11-13,17,22H,1,6-10,14-16H2,2-4H3;2*6-8,16H,9-11H2,1-5H3;11-13H,1-10H2;3,9H,1,4-8H2,2H3,(H,11,12)/t17-,22-,28+;17-,22-,28-;16-,23+;16-,23-;;9-/m0000.0/s1
• InChIKey: FLOHKNMZUMIUST-SMTUYRCRSA-N
• XLogP: 23.09
• TPSA: 410.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2233.65
LogP ≤ 5	23.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

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,3S)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3S)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3R)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[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,3S)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3S)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3R)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid (CID 157145589) is 1-O'-tert-butyl 2-O'-methyl (2'S,3S)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3S)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3R)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[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,3S)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3S)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3R)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[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,3S)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3S)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3R)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[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(CC(=O)c3c(c(C)nc4ccc(F)cc34)O2)C[C@H]1C(=O)OC.C=CCCCCC[C@H](C)C(=O)N1C[C@]2(CC(=O)c3c(c(C)nc4ccc(F)cc34)O2)C[C@H]1C(=O)OC.C=CCCCCC[C@H](C)C(=O)O.COC(=O)[C@@H]1C[C@@]2(CC(=O)c3c(c(C)nc4ccc(F)cc34)O2)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@]2(CC(=O)c3c(c(C)nc4ccc(F)cc34)O2)CN1C(=O)OC(C)(C)C.

What is the InChIKey of 1-O'-tert-butyl 2-O'-methyl (2'S,3S)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3S)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3R)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid?

The InChIKey is FLOHKNMZUMIUST-SMTUYRCRSA-N. The full InChI is InChI=1S/2C28H33FN2O5.2C23H25FN2O6.C12H23N.C10H18O2/c2*1-5-6-7-8-9-10-17(2)26(33)31-16-28(14-22(31)27(34)35-4)15-23(32)24-20-13-19(29)11-12-21(20)30-18(3)25(24)36-28;2*1-12-19-18(14-8-13(24)6-7-15(14)25-12)17(27)10-23(31-19)9-16(20(28)30-5)26(11-23)21(29)32-22(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*5,11-13,17,22H,1,6-10,14-16H2,2-4H3;2*6-8,16H,9-11H2,1-5H3;11-13H,1-10H2;3,9H,1,4-8H2,2H3,(H,11,12)/t17-,22-,28+;17-,22-,28-;16-,23+;16-,23-;;9-/m0000.0/s1.

What are the key properties of 1-O'-tert-butyl 2-O'-methyl (2'S,3S)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3S)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3R)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid?

1-O'-tert-butyl 2-O'-methyl (2'S,3S)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3S)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3R)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid has a molecular weight of 2233.65 g/mol, XLogP of 23.09, 27 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O'-tert-butyl 2-O'-methyl (2'S,3S)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-9-fluoro-5-methyl-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3S)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3R)-9-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid is sourced from PubChem (CID 157145589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).