Dimethyl 3-(Boc-amino)pentanedioate - CAS 82803-55-2

Catalog:	BB036914
Product Name:	Dimethyl 3-(Boc-amino)pentanedioate
CAS:	82803-55-2
Synonyms:	3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanedioic acid dimethyl ester; dimethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate

Technical Data

Patents

Computed Properties

IUPAC Name:	dimethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
Description:	Dimethyl 3-(Boc-amino)pentanedioate (CAS# 82803-55-2) is a useful research chemical.
Molecular Weight:	275.30
Molecular Formula:	C12H21NO6
Canonical SMILES:	CC(C)(C)OC(=O)NC(CC(=O)OC)CC(=O)OC
InChI:	InChI=1S/C12H21NO6/c1-12(2,3)19-11(16)13-8(6-9(14)17-4)7-10(15)18-5/h8H,6-7H2,1-5H3,(H,13,16)
InChI Key:	LNVSVQDYUJMTGQ-UHFFFAOYSA-N
LogP:	1.39680

Publication Number	Title	Priority Date
WO-2017160569-A1	Pyrimidines and variants thereof, and uses therefor	20160314
JP-2013051975-A	Method for producing optically active (R or S) -3-aminoglutaric acid monoester compound	20121220
US-2014364642-A1	Compound having read-through activity	20111201
US-9371274-B2	Compound having read-through activity	20111201
JP-2010183917-A	Method for producing optically active (R or S) -3-aminoglutaric acid monoester compound	20100601

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Complexity:	316
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.13688739
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	275.13688739
Rotatable Bond Count:	9
Topological Polar Surface Area:	90.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6