| CAS Number | 1936695-68-9 |
| Catalog Number | AG00ILDA(AGN-PC-0WRAH9) |
| Chemical Name | 2-[(tert-Butoxy)carbonyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid |
| InChI | InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-8-13(10(15)16)6-4-9(14)5-7-13/h9H,4-8H2,1-3H3,(H,15,16) |
| InChI Key | NYCIWWDVTWBDIL-UHFFFAOYSA-N |
| MDL Number | MFCD28388972 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | O=C(N1CC2(CCC1CC2)C(=O)O)OC(C)(C)C |
| Synonyms | 2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid,
1936695-68-9,
AKOS026739423,
AS-54308,
CS-0052103,
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| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.314g/mol |
| Monoisotopic Mass | 255.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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