2PC

3,4-DIHYDRO-2H-PYRROLIUM-5-CARBOXYLATE

Created:2000-05-15
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count15
Chiral Atom Count0
Bond Count15
Aromatic Bond Count0
2D diagram of 2PC

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Chemical Component Summary

Name3,4-DIHYDRO-2H-PYRROLIUM-5-CARBOXYLATE
Systematic Name (OpenEye OEToolkits)4,5-dihydro-3H-pyrrol-1-ium-2-carboxylate
FormulaC5 H7 N O2
Molecular Weight113.115
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-]C(=O)C1=[NH+]CCC1
SMILESCACTVS3.341[O-]C(=O)C1=[NH+]CCC1
SMILESOpenEye OEToolkits1.5.0C1CC(=[NH+]C1)C(=O)[O-]
Canonical SMILESCACTVS3.341 [O-]C(=O)C1=[NH+]CCC1
Canonical SMILESOpenEye OEToolkits1.5.0 C1CC(=[NH+]C1)C(=O)[O-]
InChIInChI1.03 InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)
InChIKeyInChI1.03 RHTAIKJZSXNELN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02838 
Name3,4-Dihydro-2h-Pyrrolium-5-Carboxylate
Groups experimental
Synonyms3,4-Dihydro-2h-Pyrrolium-5-Carboxylate

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
D-amino-acid oxidaseMRVVVIGAGVIGLSTALCIHERYHSVLQPLDIKVYADRFTPLTTTDVAAG...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 440046
ChEMBL CHEMBL18591
ChEBI CHEBI:36761, CHEBI:39785