| CAS Number | 1366053-52-2 |
| Catalog Number | AG00124X(AGN-PC-0WCKA9) |
| Chemical Name | 8-Azabicyclo[3.2.1]octane-2,8-dicarboxylic acid, 8-(1,1-dimethylethyl) ester |
| IUPAC Name | 8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid |
| InChI | InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-8-4-6-9(11(15)16)10(14)7-5-8/h8-10H,4-7H2,1-3H3,(H,15,16) |
| InChI Key | FBRWVUWBHWKVEH-UHFFFAOYSA-N |
| MDL Number | MFCD12756470 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | O=C(C1C(N2C(OC(C)(C)C)=O)CCC2CC1)O |
| Synonyms | 1366053-52-2,
8-Boc-8-azabicyclo[3.2.1]octane-2-carboxylic acid,
8-(tert-butoxycarbonyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid,
8-[(tert-butoxy)carbonyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid,
SCHEMBL792679,
FBRWVUWBHWKVEH-UHFFFAOYSA-N,
KS-000005KL,
MFCD23106267,
AKOS025291057,
FCH3050845,
PB38433,
AK171250,
AS-34181,
ST1080463,
CS-0049980,
Q-3619,
8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid,
(1R,2S,5R)-rel-8-tert-butoxycarbonyl-8-azabicyclo[3.2.1]octane-2-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 | 255.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.314g/mol |
| Monoisotopic Mass | 255.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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