| CAS Number | 960205-74-7 |
| Catalog Number | AG01BHXA |
| Chemical Name | 1-benzyl 4-methyl (4R)-2-oxoimidazolidine-1,4-dicarboxylate |
| IUPAC Name | 1-O-benzyl 4-O-methyl 2-oxoimidazolidine-1,4-dicarboxylate |
| InChI | InChI=1S/C13H14N2O5/c1-19-11(16)10-7-15(12(17)14-10)13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,17) |
| InChI Key | HGGFHNOZJFTXHU-UHFFFAOYSA-N |
| MDL Number | MFCD27998722 |
| Molecular Formula | C13H14N2O5 |
| Molecular Weight | 278.2607 |
| SMILES | COC([C@@H]1NC(=O)N(C(OCC2=CC=CC=C2)=O)C1)=O |
| Synonyms | 1-Benzyl 4-methyl 2-oxoimidazolidine-1,4-dicarboxylate,
76453-28-6,
960205-74-7,
1-benzyl 4-methyl (4R)-2-oxoimidazolidine-1,4-dicarboxylate,
1-benzyl 4-methyl 2-oxo-1,4-imidazolidinedicarboxylate,
O1-benzyl O4-methyl 2-oxoimidazolidine-1,4-dicarboxylate,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.264g/mol |
| Monoisotopic Mass | 278.09g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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