diazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+)

C10H21CuN4O8 — CID 21118124

IUPACdiazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+)
SMILESO=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[Cu+].[NH4+].[NH4+]
InChIInChI=1S/C10H16N2O8.Cu.2H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;2*1H3/q;+1;;/p-1
InChIKeyGZDAOCUFUYZWHS-UHFFFAOYSA-M
MW388.84 g/mol
LogP-5.33
Rot. Bonds11

About diazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+)

diazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+) (PubChem CID 21118124) has the molecular formula C10H21CuN4O8 and a molecular weight of 388.84 g/mol. Its IUPAC name is diazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+).

Molecular Properties

Compound Namediazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+)
PubChem CID21118124
Molecular FormulaC10H21CuN4O8
Molecular Weight388.84 g/mol
Exact Mass388.07
IUPAC Namediazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+)
SMILESO=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[Cu+].[NH4+].[NH4+]
InChIInChI=1S/C10H16N2O8.Cu.2H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;2*1H3/q;+1;;/p-1
InChIKeyGZDAOCUFUYZWHS-UHFFFAOYSA-M
XLogP-5.33
TPSA237.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.84
LogP ≤ 5-5.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

azanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate
CID 139894770
azanium;sodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;hydrate
CID 118855692
cadmium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
CID 118985497
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;tin(2+)
CID 101283521
azanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;titanium(4+);peroxide;dihydrate
CID 139141758
dipotassium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 173100294
trisodium;2-[bis(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 175837109
disodium;azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 173365071
disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;heptahydrate
CID 173335259
tricalcium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride
CID 173013675
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+)
CID 138400041
disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;tetrahydrate
CID 18996428

Frequently Asked Questions

What is the IUPAC name of diazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+)?
The IUPAC name of diazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+) (CID 21118124) is diazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+).
What is the SMILES notation for diazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+)?
The canonical SMILES for diazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+) is O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[Cu+].[NH4+].[NH4+].
What is the InChIKey of diazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+)?
The InChIKey is GZDAOCUFUYZWHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N2O8.Cu.2H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;2*1H3/q;+1;;/p-1.
What are the key properties of diazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+)?
diazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+) has a molecular weight of 388.84 g/mol, XLogP of -5.33, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper(1+) is sourced from PubChem (CID 21118124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).