| CAS Number | 1992978-79-6 |
| Catalog Number | AG01EKP2 |
| Chemical Name | 5-(tert-butoxycarbonyl)-2-oxa-5-azabicyclo[4.1.0]heptane-7-carboxylic acid |
| IUPAC Name | 5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[4.1.0]heptane-7-carboxylic acid |
| InChI | InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-4-5-16-8-6(7(8)12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14) |
| InChI Key | LNBOSRZHKZRHKJ-UHFFFAOYSA-N |
| MDL Number | MFCD31617227 |
| Molecular Formula | C11H17NO5 |
| Molecular Weight | 243.2564 |
| SMILES | CC(OC(N1C2C(C2C(O)=O)OCC1)=O)(C)C |
| Synonyms | AKOS025148564,
5-[(tert-butoxy)carbonyl]-2-oxa-5-azabicyclo[4.1.0]heptane-7-carboxylic acid,
1992978-79-6,
|
| Complexity | 348 |
| 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 | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
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