(S)-3-(Boc-amino)-2-pyrrolidone - CAS 92235-34-2

Catalog:	BB040458
Product Name:	(S)-3-(Boc-amino)-2-pyrrolidone
CAS:	92235-34-2
Synonyms:	N-[(3S)-2-oxo-3-pyrrolidinyl]carbamic acid tert-butyl ester; tert-butyl N-[(3S)-2-oxopyrrolidin-3-yl]carbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[(3S)-2-oxopyrrolidin-3-yl]carbamate
Description:	(S)-3-(Boc-amino)-2-pyrrolidone (CAS# 92235-34-2 ) is a useful research chemical.
Molecular Weight:	200.23
Molecular Formula:	C9H16N2O3
Canonical SMILES:	CC(C)(C)OC(=O)NC1CCNC1=O
InChI:	InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-4-5-10-7(6)12/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)/t6-/m0/s1
InChI Key:	DVWCHAUBYVZILO-LURJTMIESA-N
Boiling Point:	394.033 °C at 760 mmHg
Density:	1.138 g/cm³
LogP:	1.11930

Publication Number	Title	Priority Date
WO-2021081375-A1	Inhibitors of raf kinases	20191024
US-11098031-B1	Inhibitors of RAF kinases	20191024
US-2021300904-A1	Inhibitors of raf kinases	20191024
US-2021015829-A1	Cyclic trex1 inhibitors	20190408
JP-2018504905-A	Ribosome-mediated integration of peptides and peptidomimetics	20150123

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	200.11609238
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	200.11609238
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4