(1r,2s)-2-cyanocyclopropane-1-carboxylic acid (CED0182699)

Record Information
Version1.0
Creation Date2026-08-22 23:44:12 UTC
Update Date2026-08-22 23:44:12 UTC
Accession NumberCHEM223712
Identification
Common Name(1r,2s)-2-cyanocyclopropane-1-carboxylic acid
ClassSmall Molecule
Description
(1r,2s)-2-cyanocyclopropane-1-carboxylic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This compound has the formula C5H5NO2 and an average molecular weight of 111.10 g/mol. It is further classified under the superclass of lipids and lipid-like molecules.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC5H5NO2
Average Molecular Mass111.100 g/mol
Monoisotopic Mass111.032 g/mol
CAS Registry Number74650-11-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C5H5NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1H2,(H,7,8)/t3-,4-/m1/s1
InChI KeyMFCBCXRMDAOFOT-QWWZWVQMSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
273.0Log mg/kg[150:490]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
537Television SystemsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Prolyl endopeptidase structureClick to view 3D structureProlyl endopeptidaseP48147HumansPredicted (SEA)1565.0
Prolyl endopeptidase FAP structureClick to view 3D structureProlyl endopeptidase FAPQ12884HumansPredicted (SEA)1830.39
Kynurenine 3-monooxygenase structureClick to view 3D structureKynurenine 3-monooxygenaseP38169Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)Predicted (SEA)7.78492
Metabotropic glutamate receptor 8 structureClick to view 3D structureMetabotropic glutamate receptor 8O00222HumansPredicted (SEA)33.2416
Click to view 3D structureMetabotropic glutamate receptor 4P31423Rattus norvegicusPredicted (SEA)187.617
Metabotropic glutamate receptor 2 structureClick to view 3D structureMetabotropic glutamate receptor 2Q14416HumansPredicted (SEA)210.66
Click to view 3D structureFumarate hydratase, mitochondrialP10173Sus scrofaPredicted (SEA)0.311397
Metabotropic glutamate receptor 3 structureClick to view 3D structureMetabotropic glutamate receptor 3Q14832HumansPredicted (SEA)131.176
Click to view 3D structureMetabotropic glutamate receptor 6O15303HumansPredicted (SEA)93.1077
Click to view 3D structureMetabotropic glutamate receptor 8P70579Rattus norvegicusPredicted (SEA)90.4608
Metabotropic glutamate receptor 5 structureClick to view 3D structureMetabotropic glutamate receptor 5P41594HumansPredicted (SEA)558.101
Click to view 3D structureMetabotropic glutamate receptor 2P31421Rattus norvegicusPredicted (SEA)341.758
Metabotropic glutamate receptor 3 structureClick to view 3D structureMetabotropic glutamate receptor 3P31422Rattus norvegicusPredicted (SEA)161.459
Click to view 3D structureMetabotropic glutamate receptor 6P35349Rattus norvegicusPredicted (SEA)93.3412
Neuraminidase structureClick to view 3D structureNeuraminidaseQ9IGQ6Influenza A virus (strain A/Brevig Mission/1/1918 H1N1) (Influenza Avirus (strain A/South Carolina/1/1918 H1N1))Predicted (SEA)5.29375
Glutamate receptor ionotropic, kainate 4 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 4Q01812Rattus norvegicusPredicted (SEA)0.856341
Metabotropic glutamate receptor 1 structureClick to view 3D structureMetabotropic glutamate receptor 1Q13255HumansPredicted (SEA)1378.87
Threonyl-tRNA synthase structureClick to view 3D structureThreonyl-tRNA synthaseG3FIN0Phytophthora sojaePredicted (SEA)0.778492
Glutamate receptor 3 structureClick to view 3D structureGlutamate receptor 3P19492Rattus norvegicusPredicted (SEA)108.678
Exoenzyme S structureClick to view 3D structureExoenzyme SQ93SQ1Pseudomonas aeruginosaPredicted (SEA)13.6236
Dipeptidyl peptidase 4 structureClick to view 3D structureDipeptidyl peptidase 4P27487HumansPredicted (SEA)3319.72
Dipeptidyl peptidase 8 structureClick to view 3D structureDipeptidyl peptidase 8Q6V1X1HumansPredicted (SEA)1739.07
Dipeptidyl peptidase 9 structureClick to view 3D structureDipeptidyl peptidase 9Q86TI2HumansPredicted (SEA)1915.4
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)4077.9
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)4363.22
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available