tetraazanium;zinc;bis(2-aminoacetic acid)

C4H26N6O4Zn+6 — CID 72715319

IUPACtetraazanium;zinc;bis(2-aminoacetic acid)
SMILESNCC(=O)O.NCC(=O)O.[NH4+].[NH4+].[NH4+].[NH4+].[Zn+2]
InChIInChI=1S/2C2H5NO2.4H3N.Zn/c2*3-1-2(4)5;;;;;/h2*1,3H2,(H,4,5);4*1H3;/q;;;;;;+2/p+4
InChIKeyKZEXWMRRAUMERA-UHFFFAOYSA-R
MW287.68 g/mol
LogP-0.44
Rot. Bonds2

About tetraazanium;zinc;bis(2-aminoacetic acid)

tetraazanium;zinc;bis(2-aminoacetic acid) (PubChem CID 72715319) has the molecular formula C4H26N6O4Zn+6 and a molecular weight of 287.68 g/mol. Its IUPAC name is tetraazanium;zinc;bis(2-aminoacetic acid).

Molecular Properties

Compound Nametetraazanium;zinc;bis(2-aminoacetic acid)
PubChem CID72715319
Molecular FormulaC4H26N6O4Zn+6
Molecular Weight287.68 g/mol
Exact Mass286.13
IUPAC Nametetraazanium;zinc;bis(2-aminoacetic acid)
SMILESNCC(=O)O.NCC(=O)O.[NH4+].[NH4+].[NH4+].[NH4+].[Zn+2]
InChIInChI=1S/2C2H5NO2.4H3N.Zn/c2*3-1-2(4)5;;;;;/h2*1,3H2,(H,4,5);4*1H3;/q;;;;;;+2/p+4
InChIKeyKZEXWMRRAUMERA-UHFFFAOYSA-R
XLogP-0.44
TPSA272.64 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.68
LogP ≤ 5-0.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

bis(2-aminoacetic acid);copper
CID 50912486
2-aminoacetic acid;cadmium
CID 87269769
(2-aminoacetic acid);carbonic acid
CID 173312624
2-aminoacetic acid;iron;nickel
CID 175589238
sodium;2-aminoacetic acid;bromide
CID 174820906
2-aminoacetic acid;molecular hydrogen
CID 173030336
2-aminoacetic acid;oxocopper
CID 158791680
2-aminoacetic acid;methane;hydrochloride
CID 174614167
2-aminoacetic acid;barium(2+);hydride
CID 173122001
CID 174491455
CID 174491455
CID 174298851
CID 174298851
2-aminoacetic acid;ethanamine
CID 162171079

Frequently Asked Questions

What is the IUPAC name of tetraazanium;zinc;bis(2-aminoacetic acid)?
The IUPAC name of tetraazanium;zinc;bis(2-aminoacetic acid) (CID 72715319) is tetraazanium;zinc;bis(2-aminoacetic acid).
What is the SMILES notation for tetraazanium;zinc;bis(2-aminoacetic acid)?
The canonical SMILES for tetraazanium;zinc;bis(2-aminoacetic acid) is NCC(=O)O.NCC(=O)O.[NH4+].[NH4+].[NH4+].[NH4+].[Zn+2].
What is the InChIKey of tetraazanium;zinc;bis(2-aminoacetic acid)?
The InChIKey is KZEXWMRRAUMERA-UHFFFAOYSA-R. The full InChI is InChI=1S/2C2H5NO2.4H3N.Zn/c2*3-1-2(4)5;;;;;/h2*1,3H2,(H,4,5);4*1H3;/q;;;;;;+2/p+4.
What are the key properties of tetraazanium;zinc;bis(2-aminoacetic acid)?
tetraazanium;zinc;bis(2-aminoacetic acid) has a molecular weight of 287.68 g/mol, XLogP of -0.44, 2 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetraazanium;zinc;bis(2-aminoacetic acid) is sourced from PubChem (CID 72715319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).