3-Amino-4-ethoxy-4-oxobutanoic acid(non-preferred name) (CED0158891)

Record Information

Version

1.0

Creation Date

2026-04-02 22:44:16 UTC

Update Date

2026-05-20 17:16:26 UTC

SynCED ID

CED0158891

Secondary Accession Numbers

CHEM058797

Identification

Common Name

3-Amino-4-ethoxy-4-oxobutanoic acid(non-preferred name)

Class

Small Molecule

Description

3-Amino-4-ethoxy-4-oxobutanoic acid(non-preferred name) is an organic compound with the formula C6H11N1O4 and an average molecular weight of 161.16 g/mol. 3-Amino-4-ethoxy-4-oxobutanoic acid(non-preferred name) belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has been identified in one recorded source: indoor air, dust, and atmospheric transport. The recorded route of exposure for this substance is inhalation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₁N₁O₄

Average Molecular Mass

161.157 g/mol

Monoisotopic Mass

161.069 g/mol

CAS Registry Number

21860-85-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCOC(=O)C(N)CC(O)=O

InChI Identifier

InChI=1S/C6H11NO4/c1-2-11-6(10)4(7)3-5(8)9/h4H,2-3,7H2,1H3,(H,8,9)

InChI Key

WXFCDLWCQIARFW-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
6365.0 Log mg/kg [3600:11000]	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
CEDs000019	Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.	Air, dust & atmospheric transport	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
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
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

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	Glutamate transporter homolog	O59010	Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 /NBRC 100139 / OT-3)	Predicted (SEA)	Prediction Confidence Score 0.42 Applicability Domain 0.52 Statistical Significance 4.00e-05 Supporting Reference Compounds 3 E-value 0.311397
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P39086	Humans	Predicted (SEA)	Prediction Confidence Score 0.325 Applicability Domain 0.353 Statistical Significance 3.50e-04 Supporting Reference Compounds 31 E-value 2.72472
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.321 Applicability Domain 0.321 Statistical Significance 3.00e-04 Supporting Reference Compounds 2 E-value 2.33548
Click to view 3D structure	Glutamate receptor 4	P48058	Humans	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.353 Statistical Significance 3.50e-04 Supporting Reference Compounds 25 E-value 2.72472
Click to view 3D structure	Metabotropic glutamate receptor 8	P47743	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.333 Statistical Significance 5.00e-04 Supporting Reference Compounds 2 E-value 3.89246
Click to view 3D structure	Metabotropic glutamate receptor 6	O15303	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.333 Statistical Significance 0.0011 Supporting Reference Compounds 39 E-value 8.95266
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P22756	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.333 Statistical Significance 8.00e-04 Supporting Reference Compounds 45 E-value 6.22794
Click to view 3D structure	Excitatory amino acid transporter 3	P43005	Humans	Predicted (SEA)	Prediction Confidence Score 0.293 Applicability Domain 0.333 Statistical Significance 0.001 Supporting Reference Compounds 13 E-value 7.86277
Click to view 3D structure	Glutamate receptor 1	P19490	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 0.333 Statistical Significance 0.0037 Supporting Reference Compounds 37 E-value 29.1935
Click to view 3D structure	Glutamate receptor ionotropic, kainate 3	P42264	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.333 Statistical Significance 8.80e-04 Supporting Reference Compounds 26 E-value 6.85073
Click to view 3D structure	Glutamate receptor ionotropic, kainate 2	P42260	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.333 Statistical Significance 4.40e-04 Supporting Reference Compounds 18 E-value 3.42537
Click to view 3D structure	Glutamate receptor 1	P42261	Humans	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.333 Statistical Significance 9.40e-04 Supporting Reference Compounds 37 E-value 7.31783
Click to view 3D structure	Glutamate receptor 2	P42262	Humans	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.333 Statistical Significance 6.50e-04 Supporting Reference Compounds 41 E-value 5.0602
Click to view 3D structure	Metabotropic glutamate receptor 2	P31421	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.333 Statistical Significance 0.0035 Supporting Reference Compounds 53 E-value 27.3251
Click to view 3D structure	Metabotropic glutamate receptor 6	P35349	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.333 Statistical Significance 9.50e-04 Supporting Reference Compounds 24 E-value 7.39568
Click to view 3D structure	Metabotropic glutamate receptor 2	Q14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.333 Statistical Significance 0.0049 Supporting Reference Compounds 85 E-value 38.5354
Click to view 3D structure	Glutamate receptor 3	P19492	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.333 Statistical Significance 5.00e-04 Supporting Reference Compounds 30 E-value 3.89246
Click to view 3D structure	Excitatory amino acid transporter 1	P43003	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.52 Statistical Significance 6.90e-04 Supporting Reference Compounds 11 E-value 5.3716
Click to view 3D structure	Glutamate receptor ionotropic, kainate 5	Q16478	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.333 Statistical Significance 5.30e-04 Supporting Reference Compounds 17 E-value 4.12601
Click to view 3D structure	Metabotropic glutamate receptor 4	P31423	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.333 Statistical Significance 0.0068 Supporting Reference Compounds 38 E-value 52.7818
Click to view 3D structure	Glutamate receptor ionotropic, kainate 2	Q13002	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.333 Statistical Significance 5.20e-04 Supporting Reference Compounds 16 E-value 4.04816
Click to view 3D structure	Glutamate receptor 2	P19491	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.333 Statistical Significance 5.80e-04 Supporting Reference Compounds 34 E-value 4.51525
Click to view 3D structure	Glutamate--cysteine ligase catalytic subunit	P48506	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.275 Low confidence Statistical Significance 4.50e-04 Supporting Reference Compounds 1 E-value 3.50322
Click to view 3D structure	Metabotropic glutamate receptor 4	Q14833	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.333 Statistical Significance 0.0115 Supporting Reference Compounds 69 E-value 89.6045
Click to view 3D structure	Metabotropic glutamate receptor 1	Q13255	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.333 Statistical Significance 0.0042 Supporting Reference Compounds 68 E-value 32.4631