| CAS Number | 1250884-25-3 |
| Catalog Number | AG00HHW9(AGN-PC-0WG4P3) |
| Chemical Name | Rel-(3R,6R)-2-(Tert-Butoxycarbonyl)-6-Hydroxy-2-Azabicyclo[2.2.1]Heptane-3-CarboxylicAcid |
| IUPAC Name | 6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid |
| InChI | InChI=1S/C12H19NO5/c1-12(2,3)18-11(17)13-7-4-6(5-8(7)14)9(13)10(15)16/h6-9,14H,4-5H2,1-3H3,(H,15,16) |
| InChI Key | ARWLIMOJIMFGRX-UHFFFAOYSA-N |
| MDL Number | MFCD19442357 |
| Molecular Formula | C12H19NO5 |
| Molecular Weight | 257.2830 |
| SMILES | C(C)(C)(C)OC(=O)N1C2[C@@H](CC([C@@H]1C(=O)O)C2)O |
| Synonyms | 1250884-25-3,
Racemic-(1S,3S,4R,6S)-2-(Tert-Butoxycarbonyl)-6-Hydroxy-2-Azabicyclo[2.2.1]Heptane-3-Carboxylic Acid,
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| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.286g/mol |
| Monoisotopic Mass | 257.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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