| CAS Number | 203662-61-7 |
| Catalog Number | AG00292W(AGN-PC-0WCXAX) |
| Chemical Name | 6-Azaspiro[3.4]octane-2,6-dicarboxylic acid, 6-(1,1-dimethylethyl) 2-methyl ester |
| IUPAC Name | 6-O-tert-butyl 2-O-methyl 6-azaspiro[3.4]octane-2,6-dicarboxylate |
| InChI | InChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-6-5-14(9-15)7-10(8-14)11(16)18-4/h10H,5-9H2,1-4H3 |
| InChI Key | USXOUCHGCDBQPX-UHFFFAOYSA-N |
| MDL Number | MFCD28501606 |
| Molecular Formula | C14H23NO4 |
| Molecular Weight | 269.3367 |
| SMILES | O=C(C1CC2(CN(C(OC(C)(C)C)=O)CC2)C1)OC |
| Synonyms | 6-tert-butyl 2-methyl 6-azaspiro[3.4]octane-2,6-dicarboxylate,
203662-61-7,
SCHEMBL20066205,
KS-000005LA,
MFCD28501606,
ZINC169805665,
AK171268,
CS-0050146,
6-O-tert-butyl 2-O-methyl 6-azaspiro[3.4]octane-2,6-dicarboxylate,
6-Azaspiro[3.4]octane-2,6-dicarboxylic acid, 6-(1,1-dimethylethyl) 2-methyl ester,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.341g/mol |
| Monoisotopic Mass | 269.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number