G30

(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid

Created:	2009-02-03
Last modified:	2011-06-04

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1 entries where G30 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	2
Bond Count	27
Aromatic Bond Count	6

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Chemical Component Summary
Name	(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid
Systematic Name (OpenEye OEToolkits)	(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
Formula	C₁₁ H₉ F₂ N O₃
Molecular Weight	241.191
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc1cc(F)ccc1F)C2C(C(=O)O)C2
SMILES	CACTVS	3.341	OC(=O)[CH]1C[CH]1C(=O)Nc2cc(F)ccc2F
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1F)NC(=O)C2CC2C(=O)O)F
Canonical SMILES	CACTVS	3.341	OC(=O)[C@H]1C[C@H]1C(=O)Nc2cc(F)ccc2F
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1F)NC(=O)[C@@H]2C[C@@H]2C(=O)O)F
InChI	InChI	1.03	InChI=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
InChIKey	InChI	1.03	QTWGHTBKFVANGX-RQJHMYQMSA-N

Drug Info: DrugBank

DrugBank ID	DB07808
Name	(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid
Groups	experimental
Synonyms	(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-lactamase	MVTKRVQRMMFAAAACIPLLLGSAPLYAQTSAVQQKLAALEKSSGGRLGV...	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