| CAS Number | 1240619-73-1 |
| Catalog Number | AG01AIHU(AGN-PC-0WO6XS) |
| Chemical Name | 2-{4-[(tert-Butoxy)carbonyl]piperazin-1-yl}-2-methylpropanoic Acid |
| IUPAC Name | 2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid |
| InChI | InChI=1S/C13H24N2O4/c1-12(2,3)19-11(18)14-6-8-15(9-7-14)13(4,5)10(16)17/h6-9H2,1-5H3,(H,16,17) |
| InChI Key | SXMRPRGMUNAZJA-UHFFFAOYSA-N |
| MDL Number | MFCD16990554 |
| Molecular Formula | C13H24N2O4 |
| Molecular Weight | 272.3407 |
| SMILES | CC(OC(N1CCN(C(C(O)=O)(C)C)CC1)=O)(C)C |
| Synonyms | 1240619-73-1,
2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-2-methylpropanoic acid,
2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}-2-methylpropanoic acid,
EN300-77887,
2-[4-(tert-butoxycarbonyl)piperazin-1-yl]-2-methylpropanoic acid,
SCHEMBL3771434,
ZINC68592117,
AKOS005363091,
MCULE-7874203359,
BS-12269,
FT-0747394,
Z1270456555,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.345g/mol |
| Monoisotopic Mass | 272.174g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number