(2S,4R)-4-hydroxypiperidine-2-carboxylic acid
PubChem CID: 10898837
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| Compound Synonyms | (2S,4R)-4-hydroxypiperidine-2-carboxylic acid, 1844-40-2, 2-Piperidinecarboxylicacid, 4-hydroxy-, (2S,4R)-, (2S,4R)-CIS-4-HYDROXYPIPERIDINE-2-CARBOXYLIC ACID, starbld0018204, CHEMBL187337, SCHEMBL4074500, KRHNXNZBLHHEIU-UHNVWZDZSA-N, (2s,4r)-4-hydroxypipecolic acid, 1622-20-4, MFCD09910305, MFCD11110197, AKOS006350065, AKOS016015219, CS-0271905, EN300-6473129, EN300-7448046, rac-(2R,4S)-4-hydroxypiperidine-2-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 69.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 137.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,4R)-4-hydroxypiperidine-2-carboxylic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -3.0 |
| Is Pains | False |
| Molecular Formula | C6H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KRHNXNZBLHHEIU-UHNVWZDZSA-N |
| Fcsp3 | 0.8333333333333334 |
| Rotatable Bond Count | 1.0 |
| Compound Name | (2S,4R)-4-hydroxypiperidine-2-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 145.074 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 145.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 145.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.0963204 |
| Inchi | InChI=1S/C6H11NO3/c8-4-1-2-7-5(3-4)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m1/s1 |
| Smiles | C1CN[C@@H](C[C@@H]1O)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ardisia Humilis (Plant) Rel Props:Source_db:cmaup_ingredients