Chemical Component Summary

Name(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid
Identifiers(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
FormulaC11 H9 F2 N O3
Molecular Weight241.191
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1F)NC(=O)[C@@H]2C[C@@H]2C(=O)O)F
InChIInChI=1S/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/t6-,7+/m1/s1
InChIKeyQTWGHTBKFVANGX-RQJHMYQMSA-N

Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count2
Bond Count27
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB07808 
Name(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid
Groups experimental
Synonyms(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-lactamaseMVTKRVQRMMFAAAACIPLLLGSAPLYAQTSAVQQKLAALEKSSGGRLGV...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 7100107
ChEMBL CHEMBL1213403