HuagongsheHuagongshe Chemistry Print Report · For research reference only
tert-Butyl (R)-(2-amino-2-phenylacetyl)glycinate
Elobixibat Impurity 1 · tert-Butyl (R)-(2-amino-2-phenylacetyl)glycinate · (2R)-2-Phenylglycyl-glycine 1,1-Dimethylethyl Ester · Tert-Butyl N-[(2R}-2-amino-2-phenylacetyl]glycinate · (R)-tert-butyl 2-(2-amino-2-phenylacetamido)acetate · R)-a-[N-(t-butoxycarbonylmethyl)carbamoyllbenzylamine · (R)-a-[N-(t-butoxycarbonylmethyl) carbamoy]benzylamine · (R)-α-[N-(t-butoxycarbonylmethyl) carbamoyl]benzylamine
Identifiers & Physical Properties
| CAS No. | 439088-74-1 |
|---|---|
| Molecular formula | C14H20N2O3 |
| Average molar mass | 264.32 g/mol |
| Monoisotopic mass | 264.1473925 g/mol |
| SMILES | CC(C)(C)OC(=O)CNC(=O)[C@H](N)c1ccccc1 |
| InChIKey | ZCERGRXTTGLHFZ-GFCCVEGCSA-N |
| PubChem CID | 67006160 |
| DTXSID | DTXSID601207792 |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 81.4 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 6 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 317 |
| Boiling point | 423.1±40.0 °C(Predicted) |
| Density | 1.123±0.06 g/cm3(Predicted) |
| Solubility | EthanolDichloromethane |
| Physical state | Oil |
| pKa (acidity coefficient) | 13.16±0.46(Predicted) |
| Color | Clear Colorless |
| InChI | InChI=1S/C14H20N2O3/c1-14(2,3)19-11(17)9-16-13(18)12(15)10-7-5-4-6-8-10/h4-8,12H,9,15H2,1-3H3,(H,16,18)/t12-/m1/s1 |
| InChIKey | ZCERGRXTTGLHFZ-GFCCVEGCSA-N |
| SMILES | C(OC(C)(C)C)(=O)CNC(=O)[C@@H](C1=CC=CC=C1)N |
Applications & Uses
Uses
(2R)-2-Phenylglycyl-glycine 1,1-Dimethylethyl Ester is an intermediate used in the synthesis of Piperazinedione-carbonyl D-Phenylglycyl-glycine (P480165), which is an impurity of Piperacillin (P479950), a broad spectrum semi-synthetic antibiotic related to Penicillin.