| CAS Number | 2177257-67-7 |
| Catalog Number | AG01FU0O(AGN-PC-3H60EF) |
| Chemical Name | 1-(tert-butoxycarbonyl)-3-(1H-imidazol-1-yl)piperidine-3-carboxylic acid |
| IUPAC Name | 3-imidazol-1-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid |
| InChI | InChI=1S/C14H21N3O4/c1-13(2,3)21-12(20)16-7-4-5-14(9-16,11(18)19)17-8-6-15-10-17/h6,8,10H,4-5,7,9H2,1-3H3,(H,18,19) |
| InChI Key | LPHASVVMTCCPBO-UHFFFAOYSA-N |
| Molecular Formula | C14H21N3O4 |
| Molecular Weight | 295.3342 |
| SMILES | O=C(N1CCCC(C1)(C(=O)O)n1cncc1)OC(C)(C)C |
| Synonyms | 1-(tert-butoxycarbonyl)-3-(1H-imidazol-1-yl)piperidine-3-carboxylic acid,
CS-0080282,
2177257-67-7,
|
| Complexity | 421 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.153206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.33g/mol |
| Monoisotopic Mass | 295.153206g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.7Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number