| CAS Number | 1696030-41-7 |
| Catalog Number | AG01EKH2 |
| Chemical Name | 3-{[(tert-butoxy)carbonyl]amino}-3-(1,3-thiazol-2-yl)propanoic acid |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-2-yl)propanoic acid |
| InChI | InChI=1S/C11H16N2O4S/c1-11(2,3)17-10(16)13-7(6-8(14)15)9-12-4-5-18-9/h4-5,7H,6H2,1-3H3,(H,13,16)(H,14,15) |
| InChI Key | XPVWXHJYKOOHRW-UHFFFAOYSA-N |
| MDL Number | MFCD26344337 |
| Molecular Formula | C11H16N2O4S |
| Molecular Weight | 272.3207 |
| SMILES | CC(OC(NC(C1SC=CN=1)CC(O)=O)=O)(C)C |
| Synonyms | 3-([(TERT-BUTOXY)CARBONYL]AMINO)-3-(1,3-THIAZOL-2-YL)PROPANOIC ACID,
1696030-41-7,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.319g/mol |
| Monoisotopic Mass | 272.083g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number