Isobutyric Acid
Representations & DB's id
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| ChEBI: | CHEBI:16135 | |
|---|---|---|
| ChEMBL: | CHEMBL108778 | |
| PubChem: | 6590 | |
| IUPAC: | 2-methylpropanoic acid | |
| Standard InChI: | InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) | |
| Standard InChI Key: | KQNPFQTWMSNSAP-UHFFFAOYSA-N | |
| SMILES: | CC(C(=O)O)C | |
Molecular propeties
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| AlogP: | 0.73 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 0 | |
| Molecular Weight: | 88.05 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.75 | |
| Number of carbons: | 4 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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