| CAS Number | 1874188-30-3 |
| Catalog Number | AG01EKSR |
| Chemical Name | 5-(1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)oxazole-4-carboxylic acid |
| IUPAC Name | 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C13H18N2O5/c1-13(2,3)20-12(18)15-5-4-8(6-15)10-9(11(16)17)14-7-19-10/h7-8H,4-6H2,1-3H3,(H,16,17) |
| InChI Key | ZEWUILIITFKJPY-UHFFFAOYSA-N |
| MDL Number | MFCD31665773 |
| Molecular Formula | C13H18N2O5 |
| Molecular Weight | 282.2924 |
| SMILES | CC(OC(N1CC(C2=C(C(O)=O)N=CO2)CC1)=O)(C)C |
| Synonyms | AKOS034170878,
5-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}-1,3-oxazole-4-carboxylic acid,
1874188-30-3,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.296g/mol |
| Monoisotopic Mass | 282.122g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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