| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 18 | Yes |
Popular Name: N-boc-cis-4-cyano-l-proline methyl ester N-boc-cis-4-cyano-l-proline meth…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 194163-91-2 , 487048-28-2 , [487048-28-2]
1,2-Pyrrolidinedicarboxylic acid, 4-cyano-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
1-(tert-butyl) 2-methyl (2S,4S)-4-cyanotetrahydro-1H-pyrrole-1,2-dicarboxylate
Boc-cis-4-cyano-L-proline methyl ester
Boc-cis-4-cyano-L-prolinemethylester
Boc-trans-4-cyano-L-prolinemethylester
cis-N-Boc-4-cyano-L-proline methyl 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) | 2.41 | 5.93 | -17.33 | 0 | 6 | 0 | 80 | 254.286 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | US5821261; WO2000001714A1 | IBM Patent Data |
