| CAS Number | 2044713-63-3 |
| Catalog Number | AG01BV0R |
| Chemical Name | 3-(5-carbamoyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid |
| IUPAC Name | 3-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)propanoic acid |
| InChI | InChI=1S/C8H9N3O5/c9-6(14)4-3-11(2-1-5(12)13)8(16)10-7(4)15/h3H,1-2H2,(H2,9,14)(H,12,13)(H,10,15,16) |
| InChI Key | OAXBOGYHWRIZEN-UHFFFAOYSA-N |
| MDL Number | MFCD30476210 |
| Molecular Formula | C8H9N3O5 |
| Molecular Weight | 227.1742 |
| SMILES | NC(C1C(=O)NC(=O)N(CCC(O)=O)C=1)=O |
| Synonyms | 3-(5-carbamoyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid,
2044713-63-3,
AKOS033971401,
ZINC521399619,
Z2671043398,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.176g/mol |
| Monoisotopic Mass | 227.054g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
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Certificate of Analysis
Lot Number