ethyl 3-({N-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alanyl}amino)benzoate
Chemical Structure Depiction of
ethyl 3-({N-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alanyl}amino)benzoate
ethyl 3-({N-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alanyl}amino)benzoate
Compound characteristics
| Compound ID: | E144-0591 |
| Compound Name: | ethyl 3-({N-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alanyl}amino)benzoate |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C20 H23 N3 O5 |
| Smiles: | CCOC(c1cccc(c1)NC(CCNC1=C(C(C1=O)=O)N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3222 |
| logD: | 2.3221 |
| logSw: | -3.001 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.969 |
| InChI Key: | OYIRBUGPKVNBEQ-UHFFFAOYSA-N |