(S)-4-(2-Oxoethylidene)-1,2,3,4-Tetrahydropyridine-2,6-Dicarboxylic Acid
Representations & DB's id
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| ChEBI: | CHEBI:27483 | |
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| ChEMBL: | CHEMBL2062984 | |
| PubChem: | 5281176 | |
| IUPAC: | (2S,4E)-4-(2-oxoethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid | |
| Standard InChI: | InChI=1S/C9H9NO5/c11-2-1-5-3-6(8(12)13)10-7(4-5)9(14)15/h1-3,7,10H,4H2,(H,12,13)(H,14,15)/b5-1-/t7-/m0/s1 | |
| Standard InChI Key: | YQDKULBMDMPFLH-FSRBREEPSA-N | |
| SMILES: | O=C/C=C/1C[C@H](NC(=C1)C(=O)O)C(=O)O | |
Molecular propeties
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| AlogP: | -0.47 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 211.05 | |
| Topological polar surface area: | 104 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.222 | |
| Number of carbons: | 9 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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