| CAS Number | 2059915-50-1 |
| Catalog Number | AG01BRWI |
| Chemical Name | Methyl (3S)-3-amino-3-(2-hydroxypyridin-4-yl)propanoate hydrochloride |
| IUPAC Name | methyl 3-amino-3-(2-oxo-1H-pyridin-4-yl)propanoate;hydrochloride |
| InChI | InChI=1S/C9H12N2O3.ClH/c1-14-9(13)5-7(10)6-2-3-11-8(12)4-6;/h2-4,7H,5,10H2,1H3,(H,11,12);1H |
| InChI Key | DEGIVRKTWJRZMI-UHFFFAOYSA-N |
| MDL Number | MFCD30535924 |
| Molecular Formula | C9H13ClN2O3 |
| Molecular Weight | 232.6641 |
| SMILES | O=C(OC)C[C@H](N)C1=CC(O)=NC=C1.[H]Cl |
| Synonyms | methyl (3S)-3-amino-3-(2-hydroxypyridin-4-yl)propanoate hydrochloride,
2059915-50-1,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.664g/mol |
| Monoisotopic Mass | 232.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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