N-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]alanine
Chemical Structure Depiction of
N-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]alanine
N-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]alanine
Compound characteristics
| Compound ID: | 8016-4401 |
| Compound Name: | N-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]alanine |
| Molecular Weight: | 281.33 |
| Molecular Formula: | C13 H15 N O4 S |
| Smiles: | CC(C(O)=O)NC(c1ccc(C#CC(C)(C)O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5149 |
| logD: | -2.0342 |
| logSw: | -2.0812 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.7 |
| InChI Key: | OUZUJMBEZVWQFE-QMMMGPOBSA-N |