| CAS Number | 1822579-90-7 |
| Catalog Number | AG01BNCZ |
| Chemical Name | 1-(tert-butoxycarbonyl)-4-methyl-5-oxopiperazine-2-carboxylic acid |
| IUPAC Name | 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid |
| InChI | InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-6-8(14)12(4)5-7(13)9(15)16/h7H,5-6H2,1-4H3,(H,15,16) |
| InChI Key | JCWVJGRONWQGDE-UHFFFAOYSA-N |
| MDL Number | MFCD24533026 |
| Molecular Formula | C11H18N2O5 |
| Molecular Weight | 258.2710 |
| SMILES | N1(CC(=O)N(CC1C(O)=O)C)C(=O)OC(C)(C)C |
| Synonyms | 1-[(tert-butoxy)carbonyl]-4-methyl-5-oxopiperazine-2-carboxylic acid,
1822579-90-7,
SCHEMBL20299754,
AKOS034072202,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.274g/mol |
| Monoisotopic Mass | 258.122g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number