3-Hydroxybutan-2-yl 5-oxopyrrolidine-2-carboxylate
| Internal ID | 2aa9c261-391e-458d-aae6-21493f336ab2 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid esters |
| IUPAC Name | 3-hydroxybutan-2-yl 5-oxopyrrolidine-2-carboxylate |
| SMILES (Canonical) | CC(C(C)OC(=O)C1CCC(=O)N1)O |
| SMILES (Isomeric) | CC(C(C)OC(=O)C1CCC(=O)N1)O |
| InChI | InChI=1S/C9H15NO4/c1-5(11)6(2)14-9(13)7-3-4-8(12)10-7/h5-7,11H,3-4H2,1-2H3,(H,10,12) |
| InChI Key | KGVMXZGSVPGTNQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C9H15NO4 |
| Molecular Weight | 201.22 g/mol |
| Exact Mass | 201.10010796 g/mol |
| Topological Polar Surface Area (TPSA) | 75.60 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.40% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.77% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.85% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.47% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.39% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.54% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.98% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.51% | 97.09% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.35% | 95.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.68% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.48% | 85.14% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.45% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.84% | 93.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.60% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.34% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.87% | 99.23% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.65% | 94.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.51% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.95% | 91.19% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.89% | 92.88% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.11% | 88.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 123973343 |
| LOTUS | LTS0212067 |
| wikiData | Q104170274 |