| CAS Number | 683219-93-4 |
| Catalog Number | AG01AB2J(AGN-PC-0WOFGI) |
| Chemical Name | 4-{[(tert-butoxy)carbonyl]amino}-4-phenylbutanoic acid |
| IUPAC Name | 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid |
| InChI | InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(9-10-13(17)18)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18) |
| InChI Key | JBLPDLBZBHAMPD-UHFFFAOYSA-N |
| MDL Number | MFCD03412510 |
| Molecular Formula | C15H21NO4 |
| Molecular Weight | 279.3315 |
| SMILES | O=C(O)CCC(NC(OC(C)(C)C)=O)C1=CC=CC=C1 |
| Synonyms | 4-{[(tert-butoxy)carbonyl]amino}-4-phenylbutanoic acid,
683219-93-4,
4-tert-Butoxycarbonylamino-4-phenyl-butyric acid,
AC1Q1N8I,
SCHEMBL4583120,
CTK7G9038,
MFCD03412510,
AKOS008140420,
MCULE-3621511035,
NE43878,
EN300-70282,
T57070,
Z1259273106,
4-([(tert-butoxy)carbonyl]amino)-4-phenylbutanoic acid,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.336g/mol |
| Monoisotopic Mass | 279.147g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number