| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 18 | Yes |
Popular Name: trans-Ethyl 1-benzyl-4-methylpyrrolidine-3-carboxylate trans-Ethyl 1-benzyl-4-methylpyr…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1260601-85-1 , 473914-76-0 , [473914-76-0]
Ethyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
trans-1-Benzyl-4-methylpyrrolidine-3-carboxylic acid ethyl ester
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.96 | 9.66 | -40.81 | 1 | 3 | 1 | 31 | 248.346 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 7.2 | -4.53 | 0 | 3 | 0 | 30 | 247.338 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000015611A1 | IBM Patent Data |
