| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2011 | 23 | Yes |
Popular Name: ethyl 4-[1-(tert-butoxycarbonyl)pyrrolidin-3-yl]piperazine-1-carboxylate ethyl 4-[1-(tert-butoxycarbonyl)…
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CAS Numbers: , 1291486-42-4
1-piperazinecarboxylic acid, 4-[1-[(1,1-dimethylethoxy)carbonyl]-3-pyrrolidinyl]-, ethyl ester
Ethyl 4-[1-(tert-butoxycarbonyl)pyrrolidin-3-yl]-piperazine-1-carboxylate
ethyl 4-[1-(tert-butoxycarbonyl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-1(2H)-pyrazinecarboxylate
| 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) | 1.87 | 5.07 | -10.46 | 0 | 7 | 0 | 62 | 327.425 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 7.23 | -50.42 | 1 | 7 | 1 | 64 | 328.433 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
