tetrakis(2-aminoacetate);zirconium(4+);hydrochloride

C8H17ClN4O8Zr — CID 173139995

IUPACtetrakis(2-aminoacetate);zirconium(4+);hydrochloride
SMILESCl.NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].[Zr+4]
InChIInChI=1S/4C2H5NO2.ClH.Zr/c4*3-1-2(4)5;;/h4*1,3H2,(H,4,5);1H;/q;;;;;+4/p-4
InChIKeyHYIOSTMNJSRYSF-UHFFFAOYSA-J
MW423.92 g/mol
LogP-8.80
Rot. Bonds4

About tetrakis(2-aminoacetate);zirconium(4+);hydrochloride

tetrakis(2-aminoacetate);zirconium(4+);hydrochloride (PubChem CID 173139995) has the molecular formula C8H17ClN4O8Zr and a molecular weight of 423.92 g/mol. Its IUPAC name is tetrakis(2-aminoacetate);zirconium(4+);hydrochloride.

Molecular Properties

Compound Nametetrakis(2-aminoacetate);zirconium(4+);hydrochloride
PubChem CID173139995
Molecular FormulaC8H17ClN4O8Zr
Molecular Weight423.92 g/mol
Exact Mass421.98
IUPAC Nametetrakis(2-aminoacetate);zirconium(4+);hydrochloride
SMILESCl.NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].[Zr+4]
InChIInChI=1S/4C2H5NO2.ClH.Zr/c4*3-1-2(4)5;;/h4*1,3H2,(H,4,5);1H;/q;;;;;+4/p-4
InChIKeyHYIOSTMNJSRYSF-UHFFFAOYSA-J
XLogP-8.80
TPSA264.60 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.92
LogP ≤ 5-8.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

CID 173183203
CID 173183203
aluminum;tris(2-aminoacetate);tetrahydrochloride
CID 173183956
aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate
CID 175035825
aluminum tris(2-aminoacetate)
CID 6452712
tris(2-aminoacetate);copper
CID 158701626
2-aminoacetate;rubidium(1+)
CID 59119233
tetrakis(2-aminoacetate);cobalt(2+);nickel(2+)
CID 175457538
trimagnesium;bis(2-aminoacetate);dicarbonate
CID 173203788
copper;bis(2-aminoacetate);hydrate
CID 139067245
trisodium;2-aminoacetate;diacetate
CID 20975811
2-aminoacetate;iron(3+);diacetate
CID 174987571
sodium;2-aminoacetate;chromium(3+);trichloride
CID 24848593

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-aminoacetate);zirconium(4+);hydrochloride?
The IUPAC name of tetrakis(2-aminoacetate);zirconium(4+);hydrochloride (CID 173139995) is tetrakis(2-aminoacetate);zirconium(4+);hydrochloride.
What is the SMILES notation for tetrakis(2-aminoacetate);zirconium(4+);hydrochloride?
The canonical SMILES for tetrakis(2-aminoacetate);zirconium(4+);hydrochloride is Cl.NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].[Zr+4].
What is the InChIKey of tetrakis(2-aminoacetate);zirconium(4+);hydrochloride?
The InChIKey is HYIOSTMNJSRYSF-UHFFFAOYSA-J. The full InChI is InChI=1S/4C2H5NO2.ClH.Zr/c4*3-1-2(4)5;;/h4*1,3H2,(H,4,5);1H;/q;;;;;+4/p-4.
What are the key properties of tetrakis(2-aminoacetate);zirconium(4+);hydrochloride?
tetrakis(2-aminoacetate);zirconium(4+);hydrochloride has a molecular weight of 423.92 g/mol, XLogP of -8.80, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-aminoacetate);zirconium(4+);hydrochloride is sourced from PubChem (CID 173139995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).