ZLX

methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Created: 2023-06-28
Last modified:  2024-01-31

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count2
Bond Count31
Aromatic Bond Count5
2D diagram of ZLX

Chemical Component Summary

Namemethyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
Systematic Name (OpenEye OEToolkits)methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
FormulaC11 H13 N O5
Molecular Weight239.225
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COC(=O)[CH]1C[CH](O)CN1C(=O)c2occc2
SMILESOpenEye OEToolkits2.0.7COC(=O)C1CC(CN1C(=O)c2ccco2)O
Canonical SMILESCACTVS3.385 COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c2occc2
Canonical SMILESOpenEye OEToolkits2.0.7 COC(=O)[C@@H]1C[C@@H](CN1C(=O)c2ccco2)O
InChIInChI1.06 InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8-/m0/s1
InChIKeyInChI1.06 GVYWVRYDCMRUCE-YUMQZZPRSA-N

Related Resource References

Resource NameReference
PubChem 1480349