| CAS Number | 1330765-39-3 |
| Catalog Number | AG001470(AGN-PC-0WD8CJ) |
| Chemical Name | 2,6-Diazaspiro[3.4]octane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate |
| InChI | InChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-6-11(7-13)4-5-12-8(11)14/h4-7H2,1-3H3,(H,12,14) |
| InChI Key | LGNYYNZLVBXFOT-UHFFFAOYSA-N |
| MDL Number | MFCD20230661 |
| Molecular Formula | C11H18N2O3 |
| Molecular Weight | 226.2722 |
| SMILES | O=C1C2(CN(C2)C(=O)OC(C)(C)C)CCN1 |
| Synonyms | tert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate,
1330765-39-3,
SCHEMBL18113438,
MFCD20230661,
ZINC91304858,
AKOS027255221,
KS-0000055K,
AM805813,
AS-52747,
2-Boc-2,6-diazaspiro[3.4]octane-5-one,
CS-0038309,
tert-butyl5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate,
2,6-Diazaspiro[3.4]octane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.276g/mol |
| Monoisotopic Mass | 226.132g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number