| CAS Number | 1336889-00-9 |
| Catalog Number | AG01EKCG |
| Chemical Name | 2-((TERT-BUTOXYCARBONYL)AMINO)-2-(4-(TERT-BUTYL)PHENYL)ACETIC ACID |
| IUPAC Name | 2-(4-tert-butylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid |
| InChI | InChI=1S/C17H25NO4/c1-16(2,3)12-9-7-11(8-10-12)13(14(19)20)18-15(21)22-17(4,5)6/h7-10,13H,1-6H3,(H,18,21)(H,19,20) |
| InChI Key | BBLQLQNIDJOGBJ-UHFFFAOYSA-N |
| MDL Number | MFCD07388882 |
| Molecular Formula | C17H25NO4 |
| Molecular Weight | 307.3847 |
| SMILES | C(C)(C)(C)OC(=O)NC(C(=O)O)C1=CC=C(C=C1)C(C)(C)C |
| Synonyms | 1336889-00-9,
2-(Boc-amino)-2-(4-tert-butyl-phenyl)acetic acid,
SCHEMBL12326946,
2-{[(tert-butoxy)carbonyl]amino}-2-(4-tert-butylphenyl)acetic acid,
2-((tert-butoxycarbonyl)amino)-2-(4-(tert-butyl)phenyl)acetic acid,
|
| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.39g/mol |
| Monoisotopic Mass | 307.178g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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