1-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]piperidine-4-carboxylic acid
Chemical Structure Depiction of
1-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]piperidine-4-carboxylic acid
1-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]piperidine-4-carboxylic acid
Compound characteristics
| Compound ID: | 8016-5375 |
| Compound Name: | 1-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]piperidine-4-carboxylic acid |
| Molecular Weight: | 321.39 |
| Molecular Formula: | C16 H19 N O4 S |
| Smiles: | CC(C)(C#Cc1ccc(C(N2CCC(CC2)C(O)=O)=O)s1)O |
| Stereo: | ACHIRAL |
| logP: | 1.9529 |
| logD: | -0.6002 |
| logSw: | -2.1351 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.501 |
| InChI Key: | OBENOXQFJZXHRI-UHFFFAOYSA-N |