| CAS Number | 412357-26-7 |
| Catalog Number | AG01BH8Y(AGN-PC-0RQ73I) |
| Chemical Name | 1-[(tert-butoxy)carbonyl]-4-(methoxymethyl)piperidine-4-carboxylic acid |
| IUPAC Name | 4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid |
| InChI | InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-7-5-13(6-8-14,9-18-4)10(15)16/h5-9H2,1-4H3,(H,15,16) |
| InChI Key | UNLQJPNYVYPPSG-UHFFFAOYSA-N |
| MDL Number | MFCD22418560 |
| Molecular Formula | C13H23NO5 |
| Molecular Weight | 273.3254 |
| SMILES | COCC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)O |
| Synonyms | 1-[(tert-butoxy)carbonyl]-4-(methoxymethyl)piperidine-4-carboxylic acid,
412357-26-7,
SCHEMBL607839,
UNLQJPNYVYPPSG-UHFFFAOYSA-N,
AKOS023588928,
ZINC114207492,
Z1948934764,
4-methoxymethyl piperidine-1,4-dicarboxylic acid-1-tert-butyl ester,
1-(tert-butoxycarbonyl)-4-(methoxymethyl)-piperidine-4-carboxylic acid,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.329g/mol |
| Monoisotopic Mass | 273.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number