Methyl 2-(aminomethyl)-3-methoxy-2-methylpropanoate (CED0312070)

Record Information
Version1.0
Creation Date2026-09-01 11:01:41 UTC
Update Date2026-09-01 11:01:41 UTC
SynCED IDCED0312070
Secondary Accession Numbers
  • CHEM357864
Identification
Common NameMethyl 2-(aminomethyl)-3-methoxy-2-methylpropanoate
ClassSmall Molecule
Description
Methyl 2-(aminomethyl)-3-methoxy-2-methylpropanoate is a chemical compound with the formula C7H15NO3. It has an average molecular weight of 161.20 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H15NO3
Average Molecular MassNot Available
Monoisotopic Mass161.105 g/mol
CAS Registry Number1694472-63-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(CN)(COC)C(=O)OC
InChI IdentifierInChI=1S/C7H15NO3/c1-7(4-8,5-10-2)6(9)11-3/h4-5,8H2,1-3H3
InChI KeyXXMSXSQDYKUGBM-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
3798.0 Log mg/kg [2100:6800]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureHistidine decarboxylaseP16453Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.2 Low confidence
Statistical Significance
0.0088
Supporting Reference Compounds
1
E-value
68.8187
BMP-2-inducible protein kinase structureClick to view 3D structureBMP-2-inducible protein kinaseQ9NSY1HumansPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.21 Low confidence
Statistical Significance
0.4732
Supporting Reference Compounds
148
E-value
3683.98
MAP kinase-interacting serine/threonine-protein kinase 2 structureClick to view 3D structureMAP kinase-interacting serine/threonine-protein kinase 2Q9HBH9HumansPredicted (SEA)
Prediction Confidence Score
0.198
Applicability Domain
0.21 Low confidence
Statistical Significance
0.7951
Supporting Reference Compounds
550
E-value
6190.18
Click to view 3D structureReninQ7M3D2Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.197 Low confidence
Statistical Significance
0.016
Supporting Reference Compounds
1
E-value
124.481
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.229 Low confidence
Statistical Significance
0.3688
Supporting Reference Compounds
172
E-value
2870.92
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)
Prediction Confidence Score
0.195
Applicability Domain
0.231 Low confidence
Statistical Significance
0.4585
Supporting Reference Compounds
173
E-value
3569.54
Click to view 3D structureAsc-type amino acid transporter 1P63116RatPredicted (SEA)
Prediction Confidence Score
0.194
Applicability Domain
0.194 Low confidence
Statistical Significance
0.002
Supporting Reference Compounds
2
E-value
15.7255
Click to view 3D structureSodium- and chloride-dependent GABA transporter 2P31646Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.194
Applicability Domain
0.194 Low confidence
Statistical Significance
0.0023
Supporting Reference Compounds
1
E-value
17.8275
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)
Prediction Confidence Score
0.193
Applicability Domain
0.231 Low confidence
Statistical Significance
0.4682
Supporting Reference Compounds
141
E-value
3644.67
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)
Prediction Confidence Score
0.193
Applicability Domain
0.231 Low confidence
Statistical Significance
0.4178
Supporting Reference Compounds
129
E-value
3252.77
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)
Prediction Confidence Score
0.192
Applicability Domain
0.231 Low confidence
Statistical Significance
0.4955
Supporting Reference Compounds
167
E-value
3857.2
Acetylpolyamine amidohydrolase structureClick to view 3D structureAcetylpolyamine amidohydrolaseQ48935Mycoplana ramosaPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.19 Low confidence
Statistical Significance
0.0017
Supporting Reference Compounds
1
E-value
13.0008
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.194 Low confidence
Statistical Significance
0.5986
Supporting Reference Compounds
332
E-value
4659.82
Rho-associated protein kinase 2 structureClick to view 3D structureRho-associated protein kinase 2O75116HumansPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.2 Low confidence
Statistical Significance
0.9069
Supporting Reference Compounds
811
E-value
7060.46
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.189
Applicability Domain
0.194 Low confidence
Statistical Significance
0.6425
Supporting Reference Compounds
372
E-value
5001.73
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.191 Low confidence
Statistical Significance
0.5528
Supporting Reference Compounds
242
E-value
4303.43
Click to view 3D structureHomeodomain-interacting protein kinase 4Q8NE63HumansPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.21 Low confidence
Statistical Significance
0.8501
Supporting Reference Compounds
478
E-value
6618.27
AP2-associated protein kinase 1 structureClick to view 3D structureAP2-associated protein kinase 1Q2M2I8HumansPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.217 Low confidence
Statistical Significance
0.3613
Supporting Reference Compounds
161
E-value
2812.54
Inward rectifier potassium channel 2 structureClick to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.209 Low confidence
Statistical Significance
0.0512
Supporting Reference Compounds
1
E-value
398.899
AP2-associated protein kinase 1 structureClick to view 3D structureAP2-associated protein kinase 1Q3UHJ0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.205
Applicability Domain
0.217 Low confidence
Statistical Significance
0.0408
Supporting Reference Compounds
14
E-value
317.703
Click to view 3D structurePotassium voltage-gated channel subfamily KQT member 4Q9JK96Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.204 Low confidence
Statistical Significance
0.0132
Supporting Reference Compounds
1
E-value
103.072
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.243 Low confidence
Statistical Significance
0.4925
Supporting Reference Compounds
407
E-value
3834.0
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.243 Low confidence
Statistical Significance
0.5491
Supporting Reference Compounds
472
E-value
4274.62
Glyceraldehyde-3-phosphate dehydrogenase structureClick to view 3D structureGlyceraldehyde-3-phosphate dehydrogenaseP46406Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.2 Low confidence
Statistical Significance
1.40e-04
Supporting Reference Compounds
1
E-value
1.08989
Click to view 3D structureCytochrome P450 2C23P24470Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.2 Low confidence
Statistical Significance
0.0024
Supporting Reference Compounds
1
E-value
18.4503
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available