3-(Boc-amino)-3-methylazetidine - CAS 1018443-01-0

Catalog:	BB000668
Product Name:	3-(Boc-amino)-3-methylazetidine
CAS:	1018443-01-0
Synonyms:	N-(3-methyl-3-azetidinyl)carbamic acid tert-butyl ester; tert-butyl N-(3-methylazetidin-3-yl)carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(3-methylazetidin-3-yl)carbamate
Description:	3-(Boc-amino)-3-methylazetidine (CAS# 1018443-01-0 ) is a useful research chemical.
Molecular Weight:	186.25
Molecular Formula:	C9H18N2O2
Canonical SMILES:	CC1(CNC1)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C9H18N2O2/c1-8(2,3)13-7(12)11-9(4)5-10-6-9/h10H,5-6H2,1-4H3,(H,11,12)
InChI Key:	BFHSUIWEPMCBQR-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	1.40620

Publication Number	Title	Priority Date
WO-2021105072-A1	1,8-naphthyridin-2-one compounds for the treatment of autoimmune disease	20191126
WO-2021099406-A1	Spiro(isobenzofuranazetidine) compounds for the treatment of autoimmune disease	20191120
WO-2021099284-A1	Hydro-1h-pyrrolo[1,2-a]pyrazine compounds for the treatment of autoimmune disease	20191119
WO-2020207991-A1	Hexahydro-1h-pyrazino[1,2-a]pyrazine compounds for the treatment of autoimmune disease	20190409
TW-202104230-A	Hexahydro-1h-pyrazino[1,2-a]pyrazine compounds for the treatment of autoimmune disease	20190409

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Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.136827821
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	186.136827821
Rotatable Bond Count:	3
Topological Polar Surface Area:	50.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5