Methyl (S)-4-(Boc-amino)-5-hydroxypentanoate - CAS 126587-35-7

Name: Methyl (S)-4-(Boc-amino)-5-hydroxypentanoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB006607
Product Name:	Methyl (S)-4-(Boc-amino)-5-hydroxypentanoate
CAS:	126587-35-7
Synonyms:	(4S)-5-hydroxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid methyl ester; methyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Technical Data

IUPAC Name:	methyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Description:	Methyl (S)-4-(Boc-amino)-5-hydroxypentanoate (CAS# 126587-35-7) is a useful research chemical.
Molecular Weight:	247.29
Molecular Formula:	C11H21NO5
Canonical SMILES:	CC(C)(C)OC(=O)NC(CCC(=O)OC)CO
InChI:	InChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12-8(7-13)5-6-9(14)16-4/h8,13H,5-7H2,1-4H3,(H,12,15)/t8-/m0/s1
InChI Key:	SRVJJSKMYILGAM-QMMMGPOBSA-N
Boiling Point:	374.918 °C at 760 mmHg
Density:	1.104 g/cm³
LogP:	1.21610

Publication Number	Title	Priority Date
WO-2019199816-A1	Cereblon ligands and bifunctional compounds comprising the same	20180413
US-2019256523-A1	Novel jak1 selective inhibitors and uses thereof	20161003
WO-2018067422-A1	Novel jak1 selective inhibitors and uses thereof	20161003
US-10738060-B2	JAK1 selective inhibitors and uses thereof	20161003
AU-2015253192-A1	Processes of preparing a JAK1 inhibitor and new forms thereto	20140430

Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	247.14197277
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	247.14197277
Rotatable Bond Count:	8
Topological Polar Surface Area:	84.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5