rac-1-tert-butyl 2-methyl (2R,3S)-3-hydroxypiperidine-1,2-dicarboxylate
PubChem CID: 59754228
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| Compound Synonyms | 194298-00-5, 1-(tert-Butyl) 2-methyl (2S,3R)-3-hydroxypiperidine-1,2-dicarboxylate, rac-1-tert-butyl 2-methyl (2R,3S)-3-hydroxypiperidine-1,2-dicarboxylate, SCHEMBL2965236, DSCVRGCAXJUTEM-BDAKNGLRSA-N, AT44952, EN300-37100436, (+/-)-(2S,3R)-1-tert-Butoxycarbonyl-3-hydroxypipecolic acid methyl ester, 1-TERT-BUTYL 2-METHYL CIS-3-HYDROXYPIPERIDINE-1,2-DICARBOXYLATE, 2165491-03-0, 975-313-7 |
|---|---|
| Topological Polar Surface Area | 76.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 1-O-tert-butyl 2-O-methyl (2S,3R)-3-hydroxypiperidine-1,2-dicarboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C12H21NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DSCVRGCAXJUTEM-BDAKNGLRSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -1.66 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.28 |
| Compound Name | rac-1-tert-butyl 2-methyl (2R,3S)-3-hydroxypiperidine-1,2-dicarboxylate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 259.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 259.142 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 259.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0563724 |
| Inchi | InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-7-5-6-8(14)9(13)10(15)17-4/h8-9,14H,5-7H2,1-4H3/t8-,9+/m1/s1 |
| Smiles | CC(C)(C)OC(=O)N1CCC[C@H]([C@H]1C(=O)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gardenia Jasminoides (Plant) Rel Props:Source_db:cmaup_ingredients