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

Technical Data

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:	95.9Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2