3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine
2-amino-3-(3,5-dioxo-1,2,4-triazolidin-1-yl)propanoic acid
Also Known As: 3,3,5-Dan-1,2,4-triazole|3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine|2-amino-3-(3,5-dioxo-1,2,4-triazolidin-1-yl)propanoic acid|3-(3-Hydroxy-5-oxo-2,5-dihydro-1H-1,2,4-triazol-1-yl)alanine|1,2,4-Triazolidine-1-propanoic acid, alpha-amino-3,5-dioxo-, (+-)-
CAS: 95657-13-9
| Molecular Formula | C5H8N4O4 |
|---|---|
| Molecular Weight | 188.05455 g/mol |
| LogP | -4.5 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.05455 |
| Monoisotopic Mass | 188.05455 |
| Heavy Atoms | 13 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 95657-13-9 |
|---|---|
| SMILES | C(C(C(=O)O)N)N1C(=O)NC(=O)N1 |
| InChIKey | BQOGSUPGMSZTOL-UHFFFAOYSA-N |
Product Overview
3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine (CAS 95657-13-9), with molecular formula C5H8N4O4 and molecular weight 188.05455 g/mol. IUPAC: 2-amino-3-(3,5-dioxo-1,2,4-triazolidin-1-yl)propanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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