| CAS Number | 1251012-48-2 |
| Catalog Number | AG01BS68 |
| Chemical Name | 2-[(tert-butoxy)carbonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid |
| InChI | InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-7-5-8-4-6-12(8,13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15) |
| InChI Key | AVQWMFPNWOIVFJ-UHFFFAOYSA-N |
| MDL Number | MFCD14581340 |
| Molecular Formula | C12H19NO4 |
| Molecular Weight | 241.2836 |
| SMILES | CC(OC(N1C2(C(O)=O)C(CC2)CC1)=O)(C)C |
| Synonyms | 2-[(tert-butoxy)carbonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid,
1251012-48-2,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.287g/mol |
| Monoisotopic Mass | 241.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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