| CAS Number | 1821718-77-7 |
| Catalog Number | AG01DTOK |
| Chemical Name | (1R,2S,3R,4S)-3-((tert-Butoxycarbonyl)amino)bicyclo[2.2.1]heptane-2-carboxylic acid |
| IUPAC Name | (1R,2S,3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]heptane-2-carboxylic acid |
| InChI | InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-10-8-5-4-7(6-8)9(10)11(15)16/h7-10H,4-6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+,9+,10-/m1/s1 |
| InChI Key | BWIMUIWFDXMFLE-XFWSIPNHSA-N |
| MDL Number | MFCD02682613 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | O=[C@@]([C@H]1[C@](C2)([H])CC[C@]2([H])[C@H]1NC(OC(C)(C)C)=O)O |
| Synonyms | Boc-3-exo-aminobicyclo[2.2.1]-heptane-2-exo-carboxylic acid,
(1R,2S,3R,4S)-3-((tert-Butoxycarbonyl)amino)bicyclo[2.2.1]heptane-2-carboxylic acid,
1212373-01-7,
76198-37-3,
1821718-77-7,
9364AE,
ZINC33414778,
AKOS022171544,
FCH1619884,
AJ-86054,
AX8258704,
A-8693,
Boc-3-exo-amino-bicyclo[2.2.1]heptane-2-exo-carboxylic acid,
C13H21NO4,
BOC-3-EXO-AMINOBICYCLO[2.2.1]HEPTANE-2-EXO-CARBOXYLIC ACID,
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| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.314g/mol |
| Monoisotopic Mass | 255.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number