(5-Hydroxy-isoxazol-3-yl)-acetic Acid - CAS 178168-21-3

Catalog:	BB064084
Product Name:	(5-Hydroxy-isoxazol-3-yl)-acetic Acid
CAS:	178168-21-3
Synonyms:	5-Hydroxy-3-isoxazoleacetic Acid; 2-(5-Hydroxy-1,2-oxazol-3-yl)acetic Acid; 2-(5-Hydroxyisoxazol-3-yl)acetic Acid

Technical Data

IUPAC Name:	2-(5-oxo-2H-1,2-oxazol-3-yl)acetic acid
Description:	(5-Hydroxy-isoxazol-3-yl)-acetic acid is a useful reagent in the preparation of novel peptide epoxyketone derivatives used as inhibitors of proteasomes for treating various conditions or diseases associated with proteasomes
Molecular Weight:	143.1
Molecular Formula:	C5H5NO4
Canonical SMILES:	C1=C(NOC1=O)CC(=O)O
InChI:	InChI=1S/C5H5NO4/c7-4(8)1-3-2-5(9)10-6-3/h2,6H,1H2,(H,7,8)
InChI Key:	SYRSNTMCCUHBTD-UHFFFAOYSA-N
References:	Fan, X. M., et al. From PCT Int. Appl. (2014), WO 2014018807 A1 20140130.

Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.02185764
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	143.02185764
Rotatable Bond Count:	2
Topological Polar Surface Area:	75.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2