| CAS Number | 1201186-86-8 |
| Catalog Number | AG00IL5J(AGN-PC-0WOFDE) |
| Chemical Name | 4-{[(tert-butoxy)carbonyl]amino}bicyclo[2.2.1]heptane-1-carboxylic acid |
| IUPAC Name | 4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]heptane-1-carboxylic acid |
| InChI | InChI=1S/C13H21NO4/c1-11(2,3)18-10(17)14-13-6-4-12(8-13,5-7-13)9(15)16/h4-8H2,1-3H3,(H,14,17)(H,15,16) |
| InChI Key | MYRVWLDKDQQUCS-UHFFFAOYSA-N |
| MDL Number | MFCD24532616 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | O=C(C1(C2)CCC2(NC(OC(C)(C)C)=O)CC1)O |
| Synonyms | 1201186-86-8,
4-((tert-Butoxycarbonyl)amino)bicyclo[2.2.1]heptane-1-carboxylic acid,
4-{[(tert-butoxy)carbonyl]amino}bicyclo[2.2.1]heptane-1-carboxylic acid,
4-(tert-butoxycarbonylamino)bicyclo[2.2.1]heptane-1-carboxylic acid,
SCHEMBL1535995,
MYRVWLDKDQQUCS-UHFFFAOYSA-N,
MFCD24532616,
ZINC88347176,
AKOS022191838,
AS-37220,
CS-0049788,
Z1815155216,
4-((t-Butoxycarbonyl)amino)bicyclo[2.2.1]heptane-1-carboxylic acid,
4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]heptane-1-carboxylic acid,
4-[[(1,1-Dimethylethoxy)carbonyl]amino]bicyclo[2.2.1]heptane-1-carboxylic acid,
4-(tert-butoxycarbonylamino)norbornane-1-carboxylic acid,
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| Complexity | 375 |
| 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 | 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 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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