| CAS Number | 75162-02-6 |
| Catalog Number | AG01EJVM |
| Chemical Name | 2-((tert-butoxycarbonyl)amino)-4-oxo-4-phenylbutanoic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid |
| InChI | InChI=1S/C15H19NO5/c1-15(2,3)21-14(20)16-11(13(18)19)9-12(17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,20)(H,18,19) |
| InChI Key | UYBVBOASUUTFDS-UHFFFAOYSA-N |
| MDL Number | MFCD02682454 |
| Molecular Formula | C15H19NO5 |
| Molecular Weight | 293.3151 |
| SMILES | CC(OC(NC(C(O)=O)CC(C1=CC=CC=C1)=O)=O)(C)C |
| Synonyms | SCHEMBL3884513,
AKOS020179576,
2-{[(tert-butoxy)carbonyl]amino}-4-oxo-4-phenylbutanoic acid,
75162-02-6,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.319g/mol |
| Monoisotopic Mass | 293.126g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 92.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number