| CAS Number | 160080-53-5 |
| Catalog Number | AG01AFB7(AGN-PC-0WOCJH) |
| Chemical Name | 2-{[(tert-butoxy)carbonyl]amino}-4-oxopentanoic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid |
| InChI | InChI=1S/C10H17NO5/c1-6(12)5-7(8(13)14)11-9(15)16-10(2,3)4/h7H,5H2,1-4H3,(H,11,15)(H,13,14) |
| InChI Key | JMUJSOFKNKGLRT-UHFFFAOYSA-N |
| MDL Number | MFCD24135199 |
| Molecular Formula | C10H17NO5 |
| Molecular Weight | 231.2457 |
| SMILES | CC(CC(C(O)=O)NC(OC(C)(C)C)=O)=O |
| Synonyms | 2-{[(tert-butoxy)carbonyl]amino}-4-oxopentanoic acid,
160080-53-5,
SCHEMBL7279368,
AKOS020184857,
MCULE-9560579095,
NE59138,
Z1723849135,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.248g/mol |
| Monoisotopic Mass | 231.111g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 92.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number