aluminum tris(2-aminoacetate)

C6H12AlN3O6 — CID 6452712

IUPACaluminum tris(2-aminoacetate)
SMILESNCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].[Al+3]
InChIInChI=1S/3C2H5NO2.Al/c3*3-1-2(4)5;/h3*1,3H2,(H,4,5);/q;;;+3/p-3
InChIKeyRUJUQAPQALJUPC-UHFFFAOYSA-K
MW249.16 g/mol
LogP-7.30
Rot. Bonds3

About aluminum tris(2-aminoacetate)

aluminum tris(2-aminoacetate) (PubChem CID 6452712) has the molecular formula C6H12AlN3O6 and a molecular weight of 249.16 g/mol. Its IUPAC name is aluminum tris(2-aminoacetate).

Molecular Properties

Compound Namealuminum tris(2-aminoacetate)
PubChem CID6452712
Molecular FormulaC6H12AlN3O6
Molecular Weight249.16 g/mol
Exact Mass249.05
IUPAC Namealuminum tris(2-aminoacetate)
SMILESNCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].[Al+3]
InChIInChI=1S/3C2H5NO2.Al/c3*3-1-2(4)5;/h3*1,3H2,(H,4,5);/q;;;+3/p-3
InChIKeyRUJUQAPQALJUPC-UHFFFAOYSA-K
XLogP-7.30
TPSA198.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 5-7.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

aluminum;tris(2-aminoacetate);tetrahydrochloride
CID 173183956
aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate
CID 175035825
tris(2-aminoacetate);copper
CID 158701626
2-aminoacetate;rubidium(1+)
CID 59119233
tetrakis(2-aminoacetate);zirconium(4+);hydrochloride
CID 173139995
trimagnesium;bis(2-aminoacetate);dicarbonate
CID 173203788
copper;bis(2-aminoacetate);hydrate
CID 139067245
tetrakis(2-aminoacetate);cobalt(2+);nickel(2+)
CID 175457538
CID 173183203
CID 173183203
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 aluminum tris(2-aminoacetate)?
The IUPAC name of aluminum tris(2-aminoacetate) (CID 6452712) is aluminum tris(2-aminoacetate).
What is the SMILES notation for aluminum tris(2-aminoacetate)?
The canonical SMILES for aluminum tris(2-aminoacetate) is NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].[Al+3].
What is the InChIKey of aluminum tris(2-aminoacetate)?
The InChIKey is RUJUQAPQALJUPC-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H5NO2.Al/c3*3-1-2(4)5;/h3*1,3H2,(H,4,5);/q;;;+3/p-3.
What are the key properties of aluminum tris(2-aminoacetate)?
aluminum tris(2-aminoacetate) has a molecular weight of 249.16 g/mol, XLogP of -7.30, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(2-aminoacetate) is sourced from PubChem (CID 6452712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).