(R)-2-Amino-3-(3-hydroxy-4-oxopyridin-1(4H)-yl)propanoic acid
PubChem CID: 1257702
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| Compound Synonyms | 410097-45-9, (R)-2-Amino-3-(3-hydroxy-4-oxopyridin-1(4H)-yl)propanoic acid, starbld0038212, CHEMBL1741949, SCHEMBL11895399, TNP00131, AKOS032428253, NCGC00016470-01, NCGC00016470-02, NCGC00016470-03, NCGC00142475-01, CAS-500-44-7 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-amino-3-(3-hydroxy-4-oxopyridin-1-yl)propanoic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -3.5 |
| Is Pains | False |
| Molecular Formula | C8H10N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WZNJWVWKTVETCG-RXMQYKEDSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 3.0 |
| Compound Name | (R)-2-Amino-3-(3-hydroxy-4-oxopyridin-1(4H)-yl)propanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.064 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 198.064 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 198.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.41235354285714304 |
| Inchi | InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m1/s1 |
| Smiles | C1=CN(C=C(C1=O)O)C[C@H](C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Buddleja Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Leucaena Leucocephala (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Mimosa Pudica (Plant) Rel Props:Source_db:cmaup_ingredients