GF7

(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid

Created: 2009-03-27
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count1
Bond Count32
Aromatic Bond Count6
2D diagram of GF7
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Chemical Component Summary

Name(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)(3S)-1-(4-ethanoylphenyl)-5-oxo-pyrrolidine-3-carboxylic acid
FormulaC13 H13 N O4
Molecular Weight247.247
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(c1ccc(cc1)N2C(=O)CC(C(=O)O)C2)C
SMILESCACTVS3.341CC(=O)c1ccc(cc1)N2C[CH](CC2=O)C(O)=O
SMILESOpenEye OEToolkits1.5.0CC(=O)c1ccc(cc1)N2CC(CC2=O)C(=O)O
Canonical SMILESCACTVS3.341 CC(=O)c1ccc(cc1)N2C[C@H](CC2=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC(=O)c1ccc(cc1)N2C[C@H](CC2=O)C(=O)O
InChIInChI1.03 InChI=1S/C13H13NO4/c1-8(15)9-2-4-11(5-3-9)14-7-10(13(17)18)6-12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyInChI1.03 SQGYWRZISBCKMW-JTQLQIEISA-N

Drug Info: DrugBank

DrugBank IDDB07825 
Name(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Groups experimental
Synonyms(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-lactamaseMFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIY...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 2376771