4FB

(4S)-4-FLUORO-L-PROLINE

Created:2007-06-06
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count2
Bond Count17
Aromatic Bond Count0
2D diagram of 4FB

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Chemical Component Summary

Name(4S)-4-FLUORO-L-PROLINE
Systematic Name (OpenEye OEToolkits)(2S,4S)-4-fluoropyrrolidine-2-carboxylic acid
FormulaC5 H8 F N O2
Molecular Weight133.121
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C1NCC(F)C1
SMILESCACTVS3.341OC(=O)[CH]1C[CH](F)CN1
SMILESOpenEye OEToolkits1.5.0C1C(CNC1C(=O)O)F
Canonical SMILESCACTVS3.341 OC(=O)[C@@H]1C[C@H](F)CN1
Canonical SMILESOpenEye OEToolkits1.5.0 C1[C@@H](CN[C@@H]1C(=O)O)F
InChIInChI1.03 InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
InChIKeyInChI1.03 ZIWHMENIDGOELV-IMJSIDKUSA-N

Related Resource References

Resource NameReference
PubChem 10057550, 11863692
CCDC/CSD LEGBEG
COD 2235869