| CAS Number | 1788043-91-3 |
| Catalog Number | AG003A71(AGN-PC-0WD720) |
| Chemical Name | Bis(methyl 4-([(tert-butoxy)carbonyl]amino)piperidine-4-carboxylate) oxolate |
| IUPAC Name | methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;oxalic acid |
| InChI | InChI=1S/2C12H22N2O4.C2H2O4/c2*1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12;3-1(4)2(5)6/h2*13H,5-8H2,1-4H3,(H,14,16);(H,3,4)(H,5,6) |
| InChI Key | GMQWYNXNWCXKQY-UHFFFAOYSA-N |
| MDL Number | MFCD28502518 |
| Molecular Formula | C26H46N4O12 |
| Molecular Weight | 606.6630 |
| SMILES | O=C(C1(NC(OC(C)(C)C)=O)CCNCC1)OC.O=C(C2(NC(OC(C)(C)C)=O)CCNCC2)OC.O=C(O)C(O)=O |
| Synonyms | 1788043-91-3,
Methyl 4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate oxalate(2:1),
Oxalic acid bis(methyl 4-{[(tert-butoxy)carbonyl]amino}piperidine-4-carboxylate),
Bis(methyl 4-([(tert-butoxy)carbonyl]amino)piperidine-4-carboxylate) oxolate,
Bis(methyl 4-([(tert-butoxy)carbonyl]amino)piperidine-4-carboxylate) oxalate,
bis(Methyl 4-{[(tert-butoxy)carbonyl]amino}piperidine-4-carboxylate) oxalate,
MFCD28502518,
SB20391,
AK169989,
AS-52406,
CS-0048772,
KS-00000794,
bis(methyl 4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate) oxalate,
na,
|
| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 606.311g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 606.67g/mol |
| Monoisotopic Mass | 606.311g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 228A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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