(2S,4S)-4-Sulfooxypiperidine-2-Carboxylic Acid
PubChem CID: 10398743
Connections displayed (default: 10).
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| Compound Synonyms | (2S,4S)-4-sulfooxypiperidine-2-carboxylic Acid, CHEMBL509090 |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 307.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | Q9R1M7 |
| Iupac Name | (2S,4S)-4-sulfooxypiperidine-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | -3.4 |
| Molecular Formula | C6H11NO6S |
| Prediction Swissadme | 0.0 |
| Inchi Key | QYYTWKBQFWCKMW-WHFBIAKZSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.623 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.038 |
| Compound Name | (2S,4S)-4-Sulfooxypiperidine-2-Carboxylic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 225.031 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.031 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 225.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.0847236000000002 |
| Inchi | InChI=1S/C6H11NO6S/c8-6(9)5-3-4(1-2-7-5)13-14(10,11)12/h4-5,7H,1-3H2,(H,8,9)(H,10,11,12)/t4-,5-/m0/s1 |
| Smiles | C1CN[C@@H](C[C@H]1OS(=O)(=O)O)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
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