| CAS Number | 1404825-75-7 |
| Catalog Number | AG01EKE3 |
| Chemical Name | 2-((tert-Butoxycarbonyl)amino)-2-(3,5-dimethylphenyl)acetic acid |
| IUPAC Name | 2-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid |
| InChI | InChI=1S/C15H21NO4/c1-9-6-10(2)8-11(7-9)12(13(17)18)16-14(19)20-15(3,4)5/h6-8,12H,1-5H3,(H,16,19)(H,17,18) |
| InChI Key | KQWNBNRGLVHFKJ-UHFFFAOYSA-N |
| MDL Number | MFCD07388875 |
| Molecular Formula | C15H21NO4 |
| Molecular Weight | 279.3315 |
| SMILES | O=C(OC(C)(C)C)NC(C(=O)O)C=1C=C(C=C(C1)C)C |
| Synonyms | AKOS013464681,
1404825-75-7,
tert-Butoxycarbonylamino-(3,5-dimethyl-phenyl)-acetic acid,
2-{[(tert-butoxy)carbonyl]amino}-2-(3,5-dimethylphenyl)acetic acid,
1-2 weeks,
boc-amino-(3,5-dimethylphenyl)acetic acid,
870632-89-6,
|
| Complexity | 351 |
| 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 | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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