7-Boc-1-oxa-7-azaspiro[4.4]nonan-3-one - CAS 1160246-85-4

Catalog:	BB003685
Product Name:	7-Boc-1-oxa-7-azaspiro[4.4]nonan-3-one
CAS:	1160246-85-4
Synonyms:	3-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid tert-butyl ester; tert-butyl 3-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
Description:	7-Boc-1-oxa-7-azaspiro[4.4]nonan-3-one (CAS# 1160246-85-4) is a useful research chemical.
Molecular Weight:	241.28
Molecular Formula:	C12H19NO4
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC2(C1)CC(=O)CO2
InChI:	InChI=1S/C12H19NO4/c1-11(2,3)17-10(15)13-5-4-12(8-13)6-9(14)7-16-12/h4-8H2,1-3H3
InChI Key:	PBIPOVUIKARFCM-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD12198523
LogP:	1.29330

Publication Number	Title	Priority Date
JP-2019517548-A	Inhibitor of menin-MLL interaction	20160610
KR-20190017012-A	Inhibitors of Menin-MLL Interactions	20160610
US-10683302-B2	Inhibitors of the menin-MLL interaction	20160610
US-2019144459-A1	Inhibitors of the menin-mll interaction	20160610
US-2021053974-A1	Inhibitors of the menin-mll interaction	20160610

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Complexity:	347
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.13140809
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	241.13140809
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.8
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5