N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]-beta-alanine
Chemical Structure Depiction of
N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]-beta-alanine
N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]-beta-alanine
Compound characteristics
| Compound ID: | J103-0008 |
| Compound Name: | N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]-beta-alanine |
| Molecular Weight: | 279.29 |
| Molecular Formula: | C13 H17 N3 O4 |
| Smiles: | C1CCC2C(C1)=CC(N(CC(NCCC(O)=O)=O)N=2)=O |
| Stereo: | ACHIRAL |
| logP: | -0.9884 |
| logD: | -3.6841 |
| logSw: | -0.9142 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.201 |
| InChI Key: | ZPPVHEJXHZEDJB-UHFFFAOYSA-N |