| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 19th, 2011 | 15 | Yes |
Popular Name: methyl 5-phenylpyrrolidine-2-carboxylate methyl 5-phenylpyrrolidine-2-car…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1248550-88-0 , 155343-63-8 , 1786224-47-2
(2S,5S)-Methyl5-phenylpyrrolidine-2-carboxylate
| 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) | 1.93 | 6.23 | -37.29 | 2 | 3 | 1 | 43 | 206.265 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 5.27 | -7.16 | 1 | 3 | 0 | 38 | 205.257 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | US5610144 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.