ethyl (3R,4R)-4-aminooxane-3-carboxylate - CAS 503166-49-2

Catalog:	BB027001
Product Name:	ethyl (3R,4R)-4-aminooxane-3-carboxylate
CAS:	503166-49-2
Synonyms:	(3R,4R)-4-amino-3-oxanecarboxylic acid ethyl ester; ethyl (3R,4R)-4-aminooxane-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl (3R,4R)-4-aminooxane-3-carboxylate
Description:	ethyl (3R,4R)-4-aminooxane-3-carboxylate (CAS# 503166-49-2 ) is a useful research chemical.
Molecular Weight:	173.212
Molecular Formula:	C8H15NO3
Canonical SMILES:	CCOC(=O)C1COCCC1N
InChI:	InChI=1S/C8H15NO3/c1-2-12-8(10)6-5-11-4-3-7(6)9/h6-7H,2-5,9H2,1H3/t6-,7+/m0/s1
InChI Key:	WMJOASBTWYDSDT-NKWVEPMBSA-N

Publication Number	Title	Priority Date
AU-2016297362-A1	Oxadiazole derivatives useful as HDAC inhibitors	20150717
AU-2016297362-B2	Oxadiazole derivatives useful as HDAC inhibitors	20150717
CA-2992700-A1	Oxadiazole derivatives useful as hdac inhibitors	20150717
EP-3325475-A1	Oxadiazole derivatives useful as hdac inhibitors	20150717
EP-3325475-B1	Oxadiazole derivatives useful as hdac inhibitors	20150717

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Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	173.10519334
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.10519334
Rotatable Bond Count:	3
Topological Polar Surface Area:	61.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1