Azetidine-2-carboxamide - CAS 130973-78-3

Catalog:	BB007214
Product Name:	Azetidine-2-carboxamide
CAS:	130973-78-3
Synonyms:	2-azetidinecarboxamide; azetidine-2-carboxamide

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IUPAC Name:	azetidine-2-carboxamide
Description:	Azetidine-2-carboxamide (CAS# 130973-78-3) is used in the discovery of NVP-BYL719 I, which is a potent and selective phosphatidylinositol-3 kinase alpha inhibitor.
Molecular Weight:	100.12
Molecular Formula:	C4H8N2O
Canonical SMILES:	C1CNC1C(=O)N
InChI:	InChI=1S/C4H8N2O/c5-4(7)3-1-2-6-3/h3,6H,1-2H2,(H2,5,7)
InChI Key:	KKCWBKUOPJMUQV-UHFFFAOYSA-N
Boiling Point:	300.9 °C at 760 mmHg
Density:	1.171 g/cm³
Appearance:	Solid
LogP:	-0.13730

Publication Number	Title	Priority Date
KR-20210032357-A	NOVEL PYRIMIDO[4,5-d]PYRIMIDIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS	20210316
WO-2021212039-A1	Inhibitors of cysteine proteases and methods of use thereof	20200417
WO-2021158481-A1	Substituted 1,1'-biphenyl compounds and methods using same	20200203
US-2021171531-A1	Masp-2 inhibitors and methods of use	20191204
CN-112830935-A	Crystal form containing free base of tricyclic derivative and pharmaceutical composition thereof	20191125

PMID	Publication Date	Title	Journal
19627128	20090821	Highly efficient and enantioselective biotransformations of racemic azetidine-2-carbonitriles and their synthetic applications	The Journal of organic chemistry
19334031	20090101	Direct anti-selective catalytic asymmetric Mannich-type reactions of alpha-ketoanilides for the synthesis of gamma-amino amides and azetidine-2-amides	Angewandte Chemie (International ed. in English)

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GHS Hazard Statement:	H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	91.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.063662883
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	100.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1