α-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-fluoro-4-hydroxybenzeneacetic Acid - CAS 1131872-19-9
Catalog: |
BB067053 |
Product Name: |
α-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-fluoro-4-hydroxybenzeneacetic Acid |
CAS: |
1131872-19-9 |
Synonyms: |
2-(2-fluoro-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid; 2-((tert-Butoxycarbonyl)amino)-2-(2-fluoro-4-hydroxyphenyl)acetic acid; alpha-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-fluoro-4-hydroxybenzeneacetic Acid; 2-((tert-Butoxycarbonyl)amino)-2-(2-fluoro-4-hydroxyphenyl)aceticacid; 2-{[(tert-butoxy)carbonyl]amino}-2-(2-fluoro-4-hydroxyphenyl)acetic acid |
IUPAC Name: | 2-(2-fluoro-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid |
Description: | α-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-fluoro-4-hydroxybenzeneacetic Acid was utilized in the preparation of oxadiazolypiperidines for the treatment of metabolic disorders. |
Molecular Weight: | 285.27 |
Molecular Formula: | C13H16FNO5 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(C1=C(C=C(C=C1)O)F)C(=O)O |
InChI: | InChI=1S/C13H16FNO5/c1-13(2,3)20-12(19)15-10(11(17)18)8-5-4-7(16)6-9(8)14/h4-6,10,16H,1-3H3,(H,15,19)(H,17,18) |
InChI Key: | WZZZOLAEZBCEPC-UHFFFAOYSA-N |
Complexity: | 368 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.10125077 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.10125077 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 95.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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