(R)-2-(Hydroxymethyl)azetidine - CAS 209329-11-3

Catalog:	BB016443
Product Name:	(R)-2-(Hydroxymethyl)azetidine
CAS:	209329-11-3
Synonyms:	[(2R)-2-azetidinyl]methanol; [(2R)-azetidin-2-yl]methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	[(2R)-azetidin-2-yl]methanol
Description:	(R)-2-(Hydroxymethyl)azetidine (CAS# 209329-11-3) is used in the preparation of various compounds that are neprilysin inhibitors, which are useful in the treatment of hypertension, heart failure and renal disease alone or in combination therapy.
Molecular Weight:	87.12
Molecular Formula:	C4H9NO
Canonical SMILES:	C1CNC1CO
InChI:	InChI=1S/C4H9NO/c6-3-4-1-2-5-4/h4-6H,1-3H2/t4-/m1/s1
InChI Key:	FTWWNKCHSPDIQW-SCSAIBSYSA-N
Boiling Point:	151.879 °C at 760 mmHg
Density:	1.018 g/cm³
LogP:	-0.33060

Publication Number	Title	Priority Date
WO-2020157201-A1	Oxadiazinone compounds for the treatment of hyperproliferative diseases	20190201
US-2020331911-A1	Kras g12c inhibitors	20190110
WO-2020123395-A1	2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors	20181210
TW-202039487-A	2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors	20181210
CN-113166078-A	2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors	20181210

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Complexity:	46.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	87.06841391100001
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	87.06841391100001
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7