(3R,4S)-3,4-Dihydroxypiperidin-2-One
PubChem CID: 71720812
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| Compound Synonyms | (3R,4S)-3,4-dihydroxypiperidin-2-one, CHEMBL2347642 |
|---|---|
| Topological Polar Surface Area | 69.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,4S)-3,4-dihydroxypiperidin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -1.6 |
| Molecular Formula | C5H9NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HVIVBJVEAQHMTG-IUYQGCFVSA-N |
| Fcsp3 | 0.8 |
| Logs | -0.288 |
| Rotatable Bond Count | 0.0 |
| Logd | -1.94 |
| Compound Name | (3R,4S)-3,4-Dihydroxypiperidin-2-One |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 131.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 131.058 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 131.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.23528779999999982 |
| Inchi | InChI=1S/C5H9NO3/c7-3-1-2-6-5(9)4(3)8/h3-4,7-8H,1-2H2,(H,6,9)/t3-,4+/m0/s1 |
| Smiles | C1CNC(=O)[C@@H]([C@H]1O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Longum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all