| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 14 | Yes |
Popular Name: Ethyl L-Octahydroindole-2-carboxylate HCl Ethyl L-Octahydroindole-2-carbox…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 82864-25-3 , [82864-25-3]
(2S,3aS,7aS)-Ethyl octahydro-1H-indole-2-carboxylate hydrochloride
Ethyl l-octahydroindole-2-carboxylate hydrochloride
| 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) | 3.12 | 5.82 | -36.58 | 2 | 3 | 1 | 43 | 198.286 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 4.81 | -6.45 | 1 | 3 | 0 | 38 | 197.278 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 98%min(HPLC) | APIChem |
| PUBCHEM_PATENT_ID | US4508729; US4565819; US4616029; US4616030; US4616031; US4644008 | IBM Patent Data |
