N-[3-(1-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)propanoyl]-beta-alanine
Chemical Structure Depiction of
N-[3-(1-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)propanoyl]-beta-alanine
N-[3-(1-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)propanoyl]-beta-alanine
Compound characteristics
| Compound ID: | Y044-4606 |
| Compound Name: | N-[3-(1-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)propanoyl]-beta-alanine |
| Molecular Weight: | 319.31 |
| Molecular Formula: | C15 H17 N3 O5 |
| Smiles: | CN1C(C(Nc2cc(CCC(NCCC(O)=O)=O)ccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.1858 |
| logD: | -3.8815 |
| logSw: | -1.8142 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.032 |
| InChI Key: | BAUCSMBCRDITCU-UHFFFAOYSA-N |