(2S,4S,5S)-4,5-dihydroxypiperidine-2-carboxylic acid
PubChem CID: 11194949
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL940716 |
|---|---|
| Topological Polar Surface Area | 89.8 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S,4S,5S)-4,5-dihydroxypiperidine-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | -4.0 |
| Molecular Formula | C6H11NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FGRNDHZIHWHWJL-YUPRTTJUSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.644 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.144 |
| Compound Name | (2S,4S,5S)-4,5-dihydroxypiperidine-2-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 161.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 161.069 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 161.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.6145266000000005 |
| Inchi | InChI=1S/C6H11NO4/c8-4-1-3(6(10)11)7-2-5(4)9/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4-,5-/m0/s1 |
| Smiles | C1[C@@H]([C@H](CN[C@@H]1C(=O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ardisia Humilis (Plant) Rel Props:Source_db:cmaup_ingredients