Methylcarbamoyloxyethyl acrylate (CED0000823)

Record Information
Version1.0
Creation Date2026-04-04 03:25:01 UTC
Update Date2026-08-23 18:25:05 UTC
Accession NumberCHEM071089
Identification
Common NameMethylcarbamoyloxyethyl acrylate
ClassSmall Molecule
Description
Methylcarbamoyloxyethyl acrylate belongs to the acrylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C7H11N1O4 and an average molecular weight of 173.17 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H11N1O4
Average Molecular Mass173.168 g/mol
Monoisotopic Mass173.069 g/mol
CAS Registry Number52607-81-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESCNC(=O)OCCOC(=O)C=C
InChI IdentifierInChI=1S/C7H11NO4/c1-3-6(9)11-4-5-12-7(10)8-2/h3H,1,4-5H2,2H3,(H,8,10)
InChI KeyQCQXVTVJGLHITJ-UHFFFAOYSA-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
231.0Log mg/kg[130:410]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)2474.2
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)1814.74
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)1011.49
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)1366.64
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)992.422
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)1279.76
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)3669.27
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)2634.88
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)4926.3
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)4344.38
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)4225.73
Click to view 3D structureHistamine H3 receptorQ9QYN8Rattus norvegicusPredicted (SEA)1744.83
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)4648.69
Click to view 3D structureCarbonic anhydrase 13Q9D6N1Mus musculusPredicted (SEA)1123.91
Click to view 3D structureHistamine H3 receptorQ9JI35Cavia porcellusPredicted (SEA)1445.58
Click to view 3D structureAcetylcholinesteraseP36196Gallus gallusPredicted (SEA)159.591
Click to view 3D structureAcetylcholinesteraseK4JQ36Laodelphax striatellaPredicted (SEA)42.2721
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)4196.07
Aldo-keto reductase family 1 member B1 structureClick to view 3D structureAldo-keto reductase family 1 member B1P15121HumansPredicted (SEA)1824.94
Click to view 3D structureHistidine decarboxylaseP16453Rattus norvegicusPredicted (SEA)95.9881
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)6095.2
Click to view 3D structureCytochrome P450 2C23P24470Rattus norvegicusPredicted (SEA)23.744
Click to view 3D structureHistamine H2 receptorP47747Cavia porcellusPredicted (SEA)1191.72
Succinate-semialdehyde dehydrogenase, mitochondrial structureClick to view 3D structureSuccinate-semialdehyde dehydrogenase, mitochondrialP51649HumansPredicted (SEA)47.3323
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)4200.59
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available