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N-Benzyl-N-[(R)-2-hydroxypropyl][(S)-2-aminopropanamide]

N-Benzyl-N-[(R)-2-hydroxypropyl][(S)-2-aminopropanamide] - CAS 170033-64-4

Catalog:	BB012602
Product Name:	N-Benzyl-N-[(R)-2-hydroxypropyl][(S)-2-aminopropanamide]
CAS:	170033-64-4
Synonyms:	(2S)-2-amino-N-[(2R)-2-hydroxypropyl]-N-(phenylmethyl)propanamide; (2S)-2-amino-N-benzyl-N-[(2R)-2-hydroxypropyl]propanamide

Technical Data

Patents

Computed Properties

IUPAC Name:	(2S)-2-amino-N-benzyl-N-[(2R)-2-hydroxypropyl]propanamide
Description:	N-Benzyl-N-[(R)-2-hydroxypropyl][(S)-2-aminopropanamide] (CAS# 170033-64-4 ) is a useful research chemical.
Molecular Weight:	236.31
Molecular Formula:	C13H20N2O2
Canonical SMILES:	CC(CN(CC1=CC=CC=C1)C(=O)C(C)N)O
InChI:	InChI=1S/C13H20N2O2/c1-10(16)8-15(13(17)11(2)14)9-12-6-4-3-5-7-12/h3-7,10-11,16H,8-9,14H2,1-2H3/t10-,11+/m1/s1
InChI Key:	FSRLLBRORRJKJL-MNOVXSKESA-N
LogP:	1.44350

Publication Number	Title	Priority Date
WO-2019153080-A1	Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof	20180206
US-2020331921-A1	Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof	20180206
WO-2019119145-A1	Tricyclic inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof	20171221
EP-3728267-A1	Tricyclic inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof	20171221
US-2021053978-A1	Tricyclic inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof	20171221

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Related Functional Groups

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Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	236.152477885
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	236.152477885
Rotatable Bond Count:	5
Topological Polar Surface Area:	66.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5