| CAS Number | 851882-93-4 |
| Catalog Number | AG00G87Q(AGN-PC-096TZG) |
| Chemical Name | 4-[(tert-butoxy)carbonyl]-1-methylpiperazine-2-carboxylic acid |
| IUPAC Name | 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid |
| InChI | InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-6-5-12(4)8(7-13)9(14)15/h8H,5-7H2,1-4H3,(H,14,15) |
| InChI Key | VWZNEKDBBGXKOE-UHFFFAOYSA-N |
| MDL Number | MFCD09029227 |
| Molecular Formula | C11H20N2O4 |
| Molecular Weight | 244.2875 |
| SMILES | CN1C(C(O)=O)CN(C(OC(C)(C)C)=O)CC1 |
| Synonyms | 4-Methyl-piperazine-1,3-dicarboxylic acid 1-tert-butyl ester,
851882-93-4,
4-[(tert-butoxy)carbonyl]-1-methylpiperazine-2-carboxylic acid,
SCHEMBL191941,
(R)-4-(tert-Butoxycarbonyl)-1-methylpiperazine-2-carboxylic acid,
VWZNEKDBBGXKOE-UHFFFAOYSA-N,
1201630-69-4,
AKOS015961262,
NE63893,
Z2630871782,
4-(tert-butoxycarbonyl)-1-methylpiperazine-2-carboxylic acid,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.291g/mol |
| Monoisotopic Mass | 244.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number