| CAS Number | 1251019-95-0 |
| Catalog Number | AG01B43R(AGN-PC-0WOFPW) |
| Chemical Name | 2-[(Tert-butoxy)carbonyl]-2-azabicyclo[4.1.0]heptane-7-carboxylic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[4.1.0]heptane-7-carboxylic acid |
| InChI | InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-6-4-5-7-8(9(7)13)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15) |
| InChI Key | GUOCNDJUQRXVIX-UHFFFAOYSA-N |
| MDL Number | MFCD14581331 |
| Molecular Formula | C12H19NO4 |
| Molecular Weight | 241.2836 |
| SMILES | CC(OC(N1C2C(C2C(O)=O)CCC1)=O)(C)C |
| Synonyms | 1251019-95-0,
rac 2-Aza-bicyclo[4.1.0]heptane-2,7-dicarboxylic acid 2-tert-butyl ester, mixture of diastereomeres,
MFCD14581331,
AKOS022683326,
CS-0078568,
2-[(tert-butoxy)carbonyl]-2-azabicyclo[4.1.0]heptane-7-carboxylic acid,
2-(TERT-BUTOXYCARBONYL)-2-AZABICYCLO[4.1.0]HEPTANE-7-CARBOXYLIC ACID,
2-[(tert-butoxy)carbonyl]-2-azabicyclo[4.1.0]heptane-7-carboxylic acid, Mixture of diastereomers,
|
| Complexity | 347 |
| 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 | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number