Methyl 3-Oxobutanoate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3186053 | |
| PubChem: | 7757 | |
| IUPAC: | methyl 3-oxobutanoate | |
| Standard InChI: | InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3 | |
| Standard InChI Key: | WRQNANDWMGAFTP-UHFFFAOYSA-N | |
| SMILES: | COC(=O)CC(=O)C | |
Molecular propeties
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| AlogP: | 0.14 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 0 | |
| Molecular Weight: | 116.05 | |
| Topological polar surface area: | 43.4 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.6 | |
| Number of carbons: | 5 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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