2,5-Dioxo-1,3-diazolidin-4-ylacetic acid (CED0141430)

Record Information

Version

1.0

Creation Date

2026-04-04 19:55:51 UTC

Update Date

2026-04-04 19:55:51 UTC

SynCED ID

CED0141430

Secondary Accession Numbers

CHEM080265

Identification

Common Name

2,5-Dioxo-1,3-diazolidin-4-ylacetic acid

Class

Small Molecule

Description

2,5-Dioxo-1,3-diazolidin-4-ylacetic acid belongs to the imidazolidines, a subclass of azolidines within the organic compounds. It is classified as an organoheterocyclic compound with the formula C5H6N2O4 and an average molecular weight of 158.11 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅H₆N₂O₄

Average Molecular Mass

158.113 g/mol

Monoisotopic Mass

158.033 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OC(=O)CC1N=C(O)N=C1O

InChI Identifier

InChI=1/C5H6N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)

InChI Key

DQQLZADYSWBCOX-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
3648.0 Log mg/kg [2100:6500]	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
CEDs000181	Ballast water?Ballast water, taken on by ships to maintain stability and balance, often contains a diverse array of microorganisms, including bacteria, viruses, and plankton.	Marine, shipping & aquaculture	PubChem
CEDs000182	Bilge water?Bilge water is a byproduct generated from the accumulation of water in the lowest part of a ship's hull, which may include a mixture of seawater, oil, fuel residues, and various contaminants.	Marine, shipping & aquaculture	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	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
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	Gamma-aminobutyric acid receptor subunit rho-1	P24046	Humans	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.324 Statistical Significance 2.00e-05 Supporting Reference Compounds 9 E-value 0.155698
Click to view 3D structure	Sodium- and chloride-dependent betaine transporter	P48065	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.324 Statistical Significance 4.00e-05 Supporting Reference Compounds 8 E-value 0.311397
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	Q9NSD5	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.324 Statistical Significance 1.00e-05 Supporting Reference Compounds 4 E-value 0.0778492
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 3	P48066	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.27 Low confidence Statistical Significance 0.0134 Supporting Reference Compounds 11 E-value 104.318
Click to view 3D structure	Glutamate receptor 4	P19493	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.229 Low confidence Statistical Significance 0.0036 Supporting Reference Compounds 25 E-value 27.7922
Click to view 3D structure	Solute carrier family 13 member 2	Q13183	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.212 Low confidence Statistical Significance 0.0026 Supporting Reference Compounds 1 E-value 20.5522
Click to view 3D structure	Na(+)/citrate cotransporter	Q8CJ44	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.212 Low confidence Statistical Significance 0.0026 Supporting Reference Compounds 1 E-value 20.5522
Click to view 3D structure	Na(+)/citrate cotransporter	Q67BT3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.212 Low confidence Statistical Significance 0.0026 Supporting Reference Compounds 1 E-value 20.5522
Click to view 3D structure	Glutamate receptor 2	P19491	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.22 Low confidence Statistical Significance 0.005 Supporting Reference Compounds 34 E-value 39.1582
Click to view 3D structure	Glutamate receptor 2	P42262	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.22 Low confidence Statistical Significance 0.0075 Supporting Reference Compounds 41 E-value 58.6205
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P22756	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.22 Low confidence Statistical Significance 0.0174 Supporting Reference Compounds 45 E-value 135.691
Click to view 3D structure	Glutamate receptor 4	P48058	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.22 Low confidence Statistical Significance 0.0041 Supporting Reference Compounds 25 E-value 32.3074
Click to view 3D structure	Glutamate receptor 3	P19492	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.217 Low confidence Statistical Significance 0.0084 Supporting Reference Compounds 30 E-value 65.3155
Click to view 3D structure	Glutamate receptor 1	P42261	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.22 Low confidence Statistical Significance 0.0148 Supporting Reference Compounds 37 E-value 115.061
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P39086	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.22 Low confidence Statistical Significance 0.0073 Supporting Reference Compounds 31 E-value 56.9856
Click to view 3D structure	Glutamate receptor 1	P19490	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.217 Low confidence Statistical Significance 0.0361 Supporting Reference Compounds 37 E-value 281.347
Click to view 3D structure	Excitatory amino acid transporter 3	P51907	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 0.0012 Supporting Reference Compounds 1 E-value 9.34191
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 0.0588 Supporting Reference Compounds 1 E-value 457.909
Click to view 3D structure	Glutamate receptor 3	P42263	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.22 Low confidence Statistical Significance 0.0034 Supporting Reference Compounds 16 E-value 26.2352
Click to view 3D structure	Glutamate receptor ionotropic, kainate 3	P42264	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.217 Low confidence Statistical Significance 0.0118 Supporting Reference Compounds 26 E-value 92.0178
Click to view 3D structure	Glutamate receptor ionotropic, kainate 5	Q61626	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.214 Low confidence Statistical Significance 5.70e-04 Supporting Reference Compounds 2 E-value 4.43741
Click to view 3D structure	Glutamate receptor ionotropic, kainate 2	P42260	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.205 Low confidence Statistical Significance 0.0032 Supporting Reference Compounds 18 E-value 25.0674
Click to view 3D structure	Egl nine homolog 1	Q9GZT9	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.231 Low confidence Statistical Significance 0.1614 Supporting Reference Compounds 41 E-value 1256.8
Click to view 3D structure	Glutamate receptor ionotropic, kainate 5	Q16478	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.217 Low confidence Statistical Significance 0.0042 Supporting Reference Compounds 17 E-value 32.7745
Click to view 3D structure	O-acyltransferase	A0A8I3N393	Canis lupus familiaris	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.196 Low confidence Statistical Significance 0.0205 Supporting Reference Compounds 1 E-value 159.902