| CAS Number | 1250993-43-1 |
| Catalog Number | AG00HHX2(AGN-PC-0WG4KW) |
| Chemical Name | 3-Azabicyclo[3.2.0]heptane-1,3-dicarboxylic acid 3-tert-butyl ester |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.2.0]heptane-1-carboxylic acid |
| InChI | InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-6-8-4-5-12(8,7-13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15) |
| InChI Key | HFZDQTVYEXMISZ-UHFFFAOYSA-N |
| MDL Number | MFCD14581338 |
| Molecular Formula | C12H19NO4 |
| Molecular Weight | 241.2836 |
| SMILES | C(C)(C)(C)OC(=O)N1CC2(CCC2C1)C(=O)O |
| Synonyms | 1250993-43-1,
3-Aza-Bicyclo[3.2.0]Heptane-1,3-Dicarboxylic Acid 3-Tert-Butyl Ester,
3-(tert-Butoxycarbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid,
SCHEMBL20415351,
MFCD14581338,
AM805655,
CS-0038839,
3-Aza-bicyclo[3.2.0]heptane-1,3-dicarboxylic acid 3-t-butyl ester,
3-Aza-bicyclo[3.2.0]heptane-1,3-dicarboxylicacid3-tert-butylester,
3-[(2-Methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.2.0]heptane-5-carboxylic acid,
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| 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 |
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Certificate of Analysis
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