3-(4-methyl-2,5-dioxopyrrol-3-yl)propanoic acid (CED0219379)

Record Information

Version

1.0

Creation Date

2026-08-25 06:21:08 UTC

Update Date

2026-08-25 06:21:08 UTC

SynCED ID

CED0219379

Secondary Accession Numbers

CHEM260677

Identification

Common Name

3-(4-methyl-2,5-dioxopyrrol-3-yl)propanoic acid

Class

Small Molecule

Description

3-(4-methyl-2,5-dioxopyrrol-3-yl)propanoic acid belongs to the pyrrolidones, a subclass of pyrrolidines within the organic compounds. It is classified as an organoheterocyclic compound with the formula C8H9NO4 and an average molecular weight of 183.16 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₉NO₄

Average Molecular Mass

183.160 g/mol

Monoisotopic Mass

183.053 g/mol

CAS Registry Number

487-65-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H9NO4/c1-4-5(2-3-6(10)11)8(13)9-7(4)12/h2-3H2,1H3,(H,10,11)(H,9,12,13)

InChI Key

ZAFOEDODWZIXMO-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
2767.0 Log mg/kg [1600:4900]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000620	Card Games?Card games often utilize synthetic materials for playing cards and associated gaming equipment, which may contain various chemicals such as polyvinyl chloride (PVC), plastics, and dyes.	Recreation & sports surfaces	Not Available
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	Not Available
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	Not Available
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	Not Available

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	Lysine-specific demethylase 2A	Q9Y2K7	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.27 Low confidence Statistical Significance 0.0086 Supporting Reference Compounds 35 E-value 67.0282
Click to view 3D structure	Histone lysine demethylase PHF8	Q9UPP1	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.27 Low confidence Statistical Significance 6.10e-04 Supporting Reference Compounds 14 E-value 4.7488
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.257 Low confidence Statistical Significance 0.0735 Supporting Reference Compounds 197 E-value 572.036
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.257 Low confidence Statistical Significance 0.1016 Supporting Reference Compounds 127 E-value 791.026
Click to view 3D structure	Free fatty acid receptor 4	Q5NUL3	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.271 Low confidence Statistical Significance 0.047 Supporting Reference Compounds 63 E-value 365.658
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.271 Low confidence Statistical Significance 0.0457 Supporting Reference Compounds 56 E-value 355.693
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.263 Low confidence Statistical Significance 0.4643 Supporting Reference Compounds 1010 E-value 3614.77
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.263 Low confidence Statistical Significance 0.5492 Supporting Reference Compounds 1660 E-value 4275.71
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.235 Low confidence Statistical Significance 6.90e-04 Supporting Reference Compounds 1 E-value 5.3716
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.257 Low confidence Statistical Significance 0.0915 Supporting Reference Compounds 89 E-value 712.087
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.257 Low confidence Statistical Significance 0.0049 Supporting Reference Compounds 15 E-value 37.9126
Click to view 3D structure	Egl nine homolog 1	Q9GZT9	Humans	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.286 Low confidence Statistical Significance 0.0286 Supporting Reference Compounds 41 E-value 222.882
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.257 Low confidence Statistical Significance 0.1916 Supporting Reference Compounds 149 E-value 1491.67
Click to view 3D structure	M-phase inducer phosphatase 2	P30305	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.366 Statistical Significance 0.0214 Supporting Reference Compounds 50 E-value 166.442
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.257 Low confidence Statistical Significance 0.2343 Supporting Reference Compounds 192 E-value 1823.85
Click to view 3D structure	Replicative DNA helicase	A0A6L8Q2B7	Bacillus anthracis	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.226 Low confidence Statistical Significance 0.0132 Supporting Reference Compounds 1 E-value 102.761
Click to view 3D structure	Platelet-derived growth factor receptor beta	P09619	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.263 Low confidence Statistical Significance 0.4974 Supporting Reference Compounds 597 E-value 3872.53
Click to view 3D structure	Cytosolic carboxypeptidase 2	Q5U5Z8	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.222 Low confidence Statistical Significance 0.0049 Supporting Reference Compounds 1 E-value 38.5354
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.257 Low confidence Statistical Significance 0.011 Supporting Reference Compounds 21 E-value 86.0234
Click to view 3D structure	M-phase inducer phosphatase 1	P30304	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.366 Statistical Significance 0.009 Supporting Reference Compounds 25 E-value 70.22
Click to view 3D structure	Free fatty acid receptor 1	Q76JU9	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.23 Low confidence Statistical Significance 0.0287 Supporting Reference Compounds 17 E-value 223.817
Click to view 3D structure	Lysine-specific demethylase 5C	P41229	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.25 Low confidence Statistical Significance 0.0785 Supporting Reference Compounds 45 E-value 611.194
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.263 Low confidence Statistical Significance 0.77 Supporting Reference Compounds 967 E-value 5994.31
Click to view 3D structure	Olfactory receptor 51E2	Q9H255	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.257 Low confidence Statistical Significance 9.10e-04 Supporting Reference Compounds 9 E-value 7.08428
Click to view 3D structure	Mast cell carboxypeptidase A	P15088	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.233 Low confidence Statistical Significance 0.0279 Supporting Reference Compounds 2 E-value 217.199