N-Boc-aminomalamido-N,N'-Diacetic di-tert-Butyl Ester - CAS 1346600-93-8

Catalog:	BB072490
Product Name:	N-Boc-aminomalamido-N,N'-Diacetic di-tert-Butyl Ester
CAS:	1346600-93-8
Synonyms:	N-Boc-aminomalamido-N,N'-Diacetic di-tert-Butyl Ester; tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-oxopropanoyl]amino]acetate

Technical Data

IUPAC Name:	tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-oxopropanoyl]amino]acetate
Description:	N-Boc-aminomalamido-N,N'-Diacetic di-tert-Butyl Ester (cas# 1346600-93-8) is a compound useful in organic synthesis.
Molecular Weight:	445.51
Molecular Formula:	C20H35N3O8
Canonical SMILES:	CC(C)(C)OC(=O)CNC(=O)C(C(=O)NCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C20H35N3O8/c1-18(2,3)29-12(24)10-21-15(26)14(23-17(28)31-20(7,8)9)16(27)22-11-13(25)30-19(4,5)6/h14H,10-11H2,1-9H3,(H,21,26)(H,22,27)(H,23,28)
InChI Key:	UTNMZRQXGAMGBB-UHFFFAOYSA-N
Solubility:	Chloroform, Dichloromethane
Appearance:	White Crystalline Solid

Complexity:	640
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	445.24241508
Formal Charge:	0
Heavy Atom Count:	31
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	445.24241508
Rotatable Bond Count:	13
Topological Polar Surface Area:	149Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6