Tert-butyl n-(1-oxopropan-2-yl)carbamate (CED0212539)

Record Information
Version1.0
Creation Date2026-08-24 16:28:42 UTC
Update Date2026-08-24 16:28:42 UTC
Accession NumberCHEM251854
Identification
Common NameTert-butyl n-(1-oxopropan-2-yl)carbamate
ClassSmall Molecule
Description
Tert-butyl n-(1-oxopropan-2-yl)carbamate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C8H15NO3 and an average molecular weight of 173.21 g/mol. It is further classified under the superclass of organic acids and derivatives.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H15NO3
Average Molecular Mass173.210 g/mol
Monoisotopic Mass173.105 g/mol
CAS Registry Number114857-00-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H15NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h5-6H,1-4H3,(H,9,11)
InChI KeyOEQRZPWMXXJEKU-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
5619.0Log mg/kg[3200:10000]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
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)1445.27
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)2192.0
Click to view 3D structureProcathepsin LP25975Bos taurusPredicted (SEA)496.055
Papain structureClick to view 3D structurePapainP00784Carica papayaPredicted (SEA)730.926
Click to view 3D structureSerine protease 1P00760Bos taurusPredicted (SEA)1251.74
Click to view 3D structureProthrombinP00735Bos taurusPredicted (SEA)1898.2
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)3190.34
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)3321.28
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)3267.57
Click to view 3D structureGlutamyl endopeptidaseP0C1U8Staphylococcus aureusPredicted (SEA)397.109
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)5781.01
Click to view 3D structureCoagulation factor XP00743Bos taurusPredicted (SEA)2259.03
Gamma-secretase subunit PEN-2 structureClick to view 3D structureGamma-secretase subunit PEN-2Q9NZ42HumansPredicted (SEA)482.665
Click to view 3D structurePantothenate kinase, putativeQ8ILP4Plasmodium falciparum (isolate 3D7)Predicted (SEA)600.607
Calpain-1 catalytic subunit structureClick to view 3D structureCalpain-1 catalytic subunitP07384HumansPredicted (SEA)2157.98
Click to view 3D structureBeta-2 adrenergic receptorQ28044Bos taurusPredicted (SEA)177.496
Click to view 3D structureCalpain-1 catalytic subunitP00789Gallus gallusPredicted (SEA)628.01
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)5955.08
Click to view 3D structureBeta-1 adrenergic receptorP18090Rattus norvegicusPredicted (SEA)2177.91
Click to view 3D structureProbable periplasmic serine endoprotease DegP-likeP18584Chlamydia trachomatisPredicted (SEA)759.186
Calpain-9 structureClick to view 3D structureCalpain-9O14815HumansPredicted (SEA)693.87
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)5773.77
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)6195.79
Cruzipain structureClick to view 3D structureCruzipainP25779Trypanosoma cruziPredicted (SEA)4712.06
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)6931.46
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available