Methyl 4-methyl-2-(oxamoylamino)pentanoate

Details

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Internal ID 5d89ec4a-4be6-4641-9f56-1d2f417a9945
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides
IUPAC Name methyl 4-methyl-2-(oxamoylamino)pentanoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C9H16N2O4/c1-5(2)4-6(9(14)15-3)11-8(13)7(10)12/h5-6H,4H2,1-3H3,(H2,10,12)(H,11,13)
InChI Key YOAIPUXWHBBNOK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C9H16N2O4
Molecular Weight 216.23 g/mol
Exact Mass 216.11100700 g/mol
Topological Polar Surface Area (TPSA) 98.50 Ų
XlogP 0.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Methyl 4-methyl-2-(oxamoylamino)pentanoate

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.73% 96.09%
CHEMBL3837 P07711 Cathepsin L 97.71% 96.61%
CHEMBL221 P23219 Cyclooxygenase-1 93.00% 90.17%
CHEMBL2581 P07339 Cathepsin D 90.53% 98.95%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 89.68% 100.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.58% 94.45%
CHEMBL2095164 P49354 Geranylgeranyl transferase type I 85.11% 92.80%
CHEMBL2094135 Q96BI3 Gamma-secretase 83.88% 98.05%
CHEMBL2885 P07451 Carbonic anhydrase III 83.67% 87.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.31% 99.17%
CHEMBL4208 P20618 Proteasome component C5 83.01% 90.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 82.73% 94.33%
CHEMBL230 P35354 Cyclooxygenase-2 81.83% 89.63%
CHEMBL3437 Q16853 Amine oxidase, copper containing 81.47% 94.00%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 81.47% 92.29%
CHEMBL268 P43235 Cathepsin K 81.23% 96.85%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.15% 96.95%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.95% 93.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.87% 96.00%
CHEMBL4072 P07858 Cathepsin B 80.67% 93.67%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.40% 100.00%
CHEMBL340 P08684 Cytochrome P450 3A4 80.00% 91.19%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 162928002
LOTUS LTS0054476
wikiData Q104201895