copper;ethane-1,2-diamine;diacetate

C6H14CuN2O4 — CID 160578350

IUPACcopper;ethane-1,2-diamine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].NCCN.[Cu+2]
InChIInChI=1S/C2H8N2.2C2H4O2.Cu/c3-1-2-4;2*1-2(3)4;/h1-4H2;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyRBLHIGMASXZGRO-UHFFFAOYSA-L
MW241.73 g/mol
LogP-3.59
Rot. Bonds1

About copper;ethane-1,2-diamine;diacetate

copper;ethane-1,2-diamine;diacetate (PubChem CID 160578350) has the molecular formula C6H14CuN2O4 and a molecular weight of 241.73 g/mol. Its IUPAC name is copper;ethane-1,2-diamine;diacetate.

Molecular Properties

Compound Namecopper;ethane-1,2-diamine;diacetate
PubChem CID160578350
Molecular FormulaC6H14CuN2O4
Molecular Weight241.73 g/mol
Exact Mass241.02
IUPAC Namecopper;ethane-1,2-diamine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].NCCN.[Cu+2]
InChIInChI=1S/C2H8N2.2C2H4O2.Cu/c3-1-2-4;2*1-2(3)4;/h1-4H2;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyRBLHIGMASXZGRO-UHFFFAOYSA-L
XLogP-3.59
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 5-3.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane-1,2-diamine;tetrakis(iron(3+));dodecaacetate
CID 159221534
bis(ethane-1,2-diamine);platinum(2+);diacetate
CID 175317527
ethane-1,2-diamine;nickel(2+);acetate
CID 23344047
diazanium;zinc;ethane-1,2-diamine;tetraacetate
CID 172851360
disodium;ethane-1,2-diamine;diacetate;dihydrate
CID 172826063
octaazanium;pentakis(ethane-1,2-diamine);tetrakis(iron(3+));icosaacetate
CID 173404224
disodium;acetic acid;ethane-1,2-diamine;diacetate
CID 91971119
calcium;sodium;acetic acid;ethane-1,2-diamine;triacetate
CID 172759124
dicopper diacetate
CID 158276690
2-aminoacetate;iron(3+);diacetate
CID 174987571
trisodium;2-aminoacetate;diacetate
CID 20975811
zinc;ethane-1,2-diamine;carbonate
CID 88673860

Frequently Asked Questions

What is the IUPAC name of copper;ethane-1,2-diamine;diacetate?
The IUPAC name of copper;ethane-1,2-diamine;diacetate (CID 160578350) is copper;ethane-1,2-diamine;diacetate.
What is the SMILES notation for copper;ethane-1,2-diamine;diacetate?
The canonical SMILES for copper;ethane-1,2-diamine;diacetate is CC(=O)[O-].CC(=O)[O-].NCCN.[Cu+2].
What is the InChIKey of copper;ethane-1,2-diamine;diacetate?
The InChIKey is RBLHIGMASXZGRO-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H8N2.2C2H4O2.Cu/c3-1-2-4;2*1-2(3)4;/h1-4H2;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of copper;ethane-1,2-diamine;diacetate?
copper;ethane-1,2-diamine;diacetate has a molecular weight of 241.73 g/mol, XLogP of -3.59, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;ethane-1,2-diamine;diacetate is sourced from PubChem (CID 160578350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).