| CAS Number | 725255-39-0 |
| Catalog Number | AG01DSTW |
| Chemical Name | (3R)-3-{[(tert-butoxy)carbonyl]amino}-5-methoxy-5-oxopentanoic acid |
| IUPAC Name | 5-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid |
| InChI | InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-7(5-8(13)14)6-9(15)17-4/h7H,5-6H2,1-4H3,(H,12,16)(H,13,14) |
| InChI Key | HILWCLQKTLMHJT-UHFFFAOYSA-N |
| MDL Number | MFCD19221289 |
| Molecular Formula | C11H19NO6 |
| Molecular Weight | 261.2717 |
| SMILES | COC(C[C@H](NC(OC(C)(C)C)=O)CC(O)=O)=O |
| Synonyms | (3R)-3-{[(tert-butoxy)carbonyl]amino}-5-methoxy-5-oxopentanoic acid,
725255-39-0,
SCHEMBL11126899,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.274g/mol |
| Monoisotopic Mass | 261.121g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number