3,4-Dihydroxypipecolic acid
PubChem CID: 14523449
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| Compound Synonyms | 3,4-dihydroxypipecolic acid, SCHEMBL3578701, 3,4-dihydroxypiperidine-2-carboxylic acid |
|---|---|
| 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 | 0.0 |
| Iupac Name | 3,4-dihydroxypiperidine-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | -3.8 |
| Molecular Formula | C6H11NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SUCGXPHEYBRFIL-UHFFFAOYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.79 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.375 |
| Compound Name | 3,4-Dihydroxypipecolic 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/c8-3-1-2-7-4(5(3)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11) |
| Smiles | C1CNC(C(C1O)O)C(=O)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