| CAS Number | 1330763-18-2 |
| Catalog Number | AG00HSQW(AGN-PC-0WG4P9) |
| Chemical Name | 2-[(2-Methylpropan-2-yl)oxycarbonyl]-5-oxa-2-azabicyclo[2.2.1]heptane-4-carboxylic Acid |
| IUPAC Name | 5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxylic acid |
| InChI | InChI=1S/C11H17NO5/c1-10(2,3)17-9(15)12-6-11(8(13)14)4-7(12)5-16-11/h7H,4-6H2,1-3H3,(H,13,14) |
| InChI Key | GJLSXXFQRXNEFA-UHFFFAOYSA-N |
| MDL Number | MFCD23726564 |
| Molecular Formula | C11H17NO5 |
| Molecular Weight | 243.2564 |
| SMILES | O=C(C12CN(C(OC(C)(C)C)=O)C(C2)CO1)O |
| Synonyms | 1330763-18-2,
2-Oxa-5-aza-bicyclo[2.2.1]heptane-1,5-dicarboxylic acid 5-tert-butyl ester,
5-(tert-Butoxycarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxylic acid,
MFCD23726564,
AM805611,
CS-0036785,
2-Oxa-5-aza-bicyclo[2.2.1]heptane-1,5-dicarboxylic acid 5-t-butyl ester,
(1R,4S)-5-(tert-Butoxycarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxylic acid,
2-[(2-Methylpropan-2-yl)oxycarbonyl]-5-oxa-2-azabicyclo[2.2.1]heptane-4-carboxylic acid,
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| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.259g/mol |
| Monoisotopic Mass | 243.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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