| CAS Number | 1807912-24-8 |
| Catalog Number | AG01AID9 |
| Chemical Name | rel-(2S,5R)-5-(((tert-butoxycarbonyl)amino)methyl)tetrahydrofuran-2-carboxylic acid |
| IUPAC Name | (2S,5R)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid |
| InChI | InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7-4-5-8(16-7)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m1/s1 |
| InChI Key | LCUKHUMNWGIQJL-SFYZADRCSA-N |
| MDL Number | MFCD28246603 |
| Molecular Formula | C11H19NO5 |
| Molecular Weight | 245.2723 |
| SMILES | OC(=O)[C@H]1O[C@@H](CNC(=O)OC(C)(C)C)CC1 |
| Synonyms | (2S,5R)-5-({[(tert-butoxy)carbonyl]amino}methyl)oxolane-2-carboxylic acid,
ZINC83250297,
5-({[(tert-butoxy)carbonyl]amino}methyl)oxolane-2-carboxylic acid, cis,
1807912-24-8,
840540-63-8,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.275g/mol |
| Monoisotopic Mass | 245.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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