Aminomalonic Acid Bis(4-aminobutyric Acid)amide Trifluoroacetic Acid Salt - CAS 1216563-33-5

Catalog:	BB054943
Product Name:	Aminomalonic Acid Bis(4-aminobutyric Acid)amide Trifluoroacetic Acid Salt
CAS:	1216563-33-5
Synonyms:	Aminomalonic Acid Bis(4-aminobutyric Acid)amide Trifluoroacetic Acid Salt; 4-[[2-amino-3-(3-carboxypropylamino)-3-oxopropanoyl]amino]butanoic acid; 2,2,2-trifluoroacetic acid; AMINOMALONIC ACID BIS(4-AMINOBUTYRIC ACID)AMIDE, TRIFLUOROACETIC ACID SALT; 4,4'-[(2-Amino-1,3-dioxopropane-1,3-diyl)diazanediyl]dibutanoic acid--trifluoroacetic acid (1/1)

Technical Data

IUPAC Name:	4-[[2-amino-3-(3-carboxypropylamino)-3-oxopropanoyl]amino]butanoic acid2,2,2-trifluoroacetic acid
Description:	Aminomalonic Acid Bis(4-aminobutyric Acid)amide Trifluoroacetic Acid Salt (cas# 1216563-33-5 ) is a compound useful in organic synthesis.
Molecular Weight:	403.31
Molecular Formula:	C13H20F3N3O8
Canonical SMILES:	C(CC(=O)O)CNC(=O)C(C(=O)NCCCC(=O)O)N.C(=O)(C(F)(F)F)O
InChI:	InChI=1S/C11H19N3O6.C2HF3O2/c12-9(10(19)13-5-1-3-7(15)16)11(20)14-6-2-4-8(17)183-2(4,5)1(6)7/h9H,1-6,12H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)(H,6,7)
InChI Key:	QDXCDVGAPVHFCF-UHFFFAOYSA-N
Solubility:	DMSO, Methanol, Water
Appearance:	White Solid

Complexity:	421
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	403.12024909
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	12
Hydrogen Bond Donor Count:	6
Isotope Atom Count:	0
Monoisotopic Mass:	403.12024909
Rotatable Bond Count:	10
Topological Polar Surface Area:	196Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0