Tert-butyl n-ethenylcarbamate (CED0202067)

Record Information

Version

1.0

Creation Date

2026-08-23 20:20:50 UTC

Update Date

2026-08-23 20:20:50 UTC

SynCED ID

CED0202067

Secondary Accession Numbers

CHEM238697

Identification

Common Name

Tert-butyl n-ethenylcarbamate

Class

Small Molecule

Description

Tert-butyl n-ethenylcarbamate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C7H13NO2 and an average molecular weight of 143.18 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₃NO₂

Average Molecular Mass

143.180 g/mol

Monoisotopic Mass

143.095 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H13NO2/c1-5-8-6(9)10-7(2,3)4/h5H,1H2,2-4H3,(H,8,9)

InChI Key

SJDWKAHMQWSMPV-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1789.0 Log mg/kg [1000:3200]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000743	Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.	Wastewater, sanitation & biosolids	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Cathepsin K	P43235	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.196 Low confidence Statistical Significance 0.5881 Supporting Reference Compounds 129 E-value 4578.16
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.261 Low confidence Statistical Significance 0.657 Supporting Reference Compounds 167 E-value 5115.01
Click to view 3D structure	Cathepsin S	P25774	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.196 Low confidence Statistical Significance 0.6849 Supporting Reference Compounds 141 E-value 5331.82
Click to view 3D structure	Procathepsin L	P25975	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.176 Low confidence Statistical Significance 0.1548 Supporting Reference Compounds 12 E-value 1205.18
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.196 Low confidence Statistical Significance 0.7684 Supporting Reference Compounds 173 E-value 5981.93
Click to view 3D structure	Papain	P00784	Carica papaya	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.196 Low confidence Statistical Significance 0.279 Supporting Reference Compounds 35 E-value 2172.38
Click to view 3D structure	Sphingosine-1-phosphate lyase 1	Q8CHN6	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.163 Low confidence Statistical Significance 0.0059 Supporting Reference Compounds 1 E-value 46.3203
Click to view 3D structure	Serine protease 1	P00760	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.167 Low confidence Statistical Significance 0.6355 Supporting Reference Compounds 74 E-value 4947.16
Click to view 3D structure	Glyceraldehyde-3-phosphate dehydrogenase	P46406	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.15 Low confidence Statistical Significance 0.0024 Supporting Reference Compounds 1 E-value 18.3724
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.167 Low confidence Statistical Significance 0.9266 Supporting Reference Compounds 195 E-value 7213.43
Click to view 3D structure	Glutamyl endopeptidase	P0C1U8	Staphylococcus aureus	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.145 Low confidence Statistical Significance 0.2119 Supporting Reference Compounds 1 E-value 1649.39
Click to view 3D structure	Prothrombin	P00735	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.167 Low confidence Statistical Significance 0.8568 Supporting Reference Compounds 73 E-value 6670.04
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.158 Low confidence Statistical Significance 0.9986 Supporting Reference Compounds 1538 E-value 7774.18
Click to view 3D structure	Acetyl-Coenzyme A carboxylase 2	Q1HEC0	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.139 Low confidence Statistical Significance 0.5619 Supporting Reference Compounds 1 E-value 4374.66
Click to view 3D structure	Seed linoleate 9S-lipoxygenase	P24095	Glycine max	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.139 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 1 E-value 12.4559
Click to view 3D structure	Gamma-secretase subunit PEN-2	Q9NZ42	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.136 Low confidence Statistical Significance 0.2094 Supporting Reference Compounds 1 E-value 1630.08
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.152 Low confidence Statistical Significance 0.9623 Supporting Reference Compounds 127 E-value 7491.12
Click to view 3D structure	Neuromedin-K receptor	P29371	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.18 Low confidence Statistical Significance 0.9389 Supporting Reference Compounds 57 E-value 7309.11
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.158 Low confidence Statistical Significance 0.9986 Supporting Reference Compounds 1245 E-value 7773.95
Click to view 3D structure	Beta-2 adrenergic receptor	Q28044	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.17 Low confidence Statistical Significance 0.2749 Supporting Reference Compounds 16 E-value 2140.39
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.261 Low confidence Statistical Significance 0.997 Supporting Reference Compounds 797 E-value 7761.26
Click to view 3D structure	Probable periplasmic serine endoprotease DegP-like	P18584	Chlamydia trachomatis	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.132 Low confidence Statistical Significance 0.3976 Supporting Reference Compounds 1 E-value 3095.21
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.136 Low confidence Statistical Significance 0.9878 Supporting Reference Compounds 192 E-value 7689.79
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.182 Low confidence Statistical Significance 0.9301 Supporting Reference Compounds 56 E-value 7240.6
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.131 Applicability Domain 0.136 Low confidence Statistical Significance 0.9677 Supporting Reference Compounds 89 E-value 7533.78