| CAS Number | 1699454-68-6 |
| Catalog Number | AG01BE2H |
| Chemical Name | 1-[(Tert-butoxy)carbonyl]-3,3-dimethylpiperidine-2-carboxylic acid |
| IUPAC Name | 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid |
| InChI | InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-8-6-7-13(4,5)9(14)10(15)16/h9H,6-8H2,1-5H3,(H,15,16) |
| InChI Key | BAMPIPDSJUTFSY-UHFFFAOYSA-N |
| MDL Number | MFCD28139364 |
| Molecular Formula | C13H23NO4 |
| Molecular Weight | 257.3260 |
| SMILES | CC(OC(N1C(C(O)=O)C(C)(C)CCC1)=O)(C)C |
| Synonyms | 1-[(tert-butoxy)carbonyl]-3,3-dimethylpiperidine-2-carboxylic acid,
1699454-68-6,
AKOS033691514,
Z1956828533,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.33g/mol |
| Monoisotopic Mass | 257.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number