2-aminoacetate;iron(3+);diacetate

C6H10FeNO6 — CID 174987571

IUPAC2-aminoacetate;iron(3+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].NCC(=O)[O-].[Fe+3]
InChIInChI=1S/C2H5NO2.2C2H4O2.Fe/c3-1-2(4)5;2*1-2(3)4;/h1,3H2,(H,4,5);2*1H3,(H,3,4);/q;;;+3/p-3
InChIKeyRDLHSPYTDTWIFS-UHFFFAOYSA-K
MW247.99 g/mol
LogP-4.80
Rot. Bonds1

About 2-aminoacetate;iron(3+);diacetate

2-aminoacetate;iron(3+);diacetate (PubChem CID 174987571) has the molecular formula C6H10FeNO6 and a molecular weight of 247.99 g/mol. Its IUPAC name is 2-aminoacetate;iron(3+);diacetate.

Molecular Properties

Compound Name2-aminoacetate;iron(3+);diacetate
PubChem CID174987571
Molecular FormulaC6H10FeNO6
Molecular Weight247.99 g/mol
Exact Mass247.99
IUPAC Name2-aminoacetate;iron(3+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].NCC(=O)[O-].[Fe+3]
InChIInChI=1S/C2H5NO2.2C2H4O2.Fe/c3-1-2(4)5;2*1-2(3)4;/h1,3H2,(H,4,5);2*1H3,(H,3,4);/q;;;+3/p-3
InChIKeyRDLHSPYTDTWIFS-UHFFFAOYSA-K
XLogP-4.80
TPSA146.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.99
LogP ≤ 5-4.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

trisodium;2-aminoacetate;diacetate
CID 20975811
ethane-1,2-diamine;tetrakis(iron(3+));dodecaacetate
CID 159221534
sodium;2-aminoacetate;methanol
CID 175901893
aluminum tris(2-aminoacetate)
CID 6452712
tris(2-aminoacetate);copper
CID 158701626
2-aminoacetate;rubidium(1+)
CID 59119233
octaazanium;pentakis(ethane-1,2-diamine);tetrakis(iron(3+));icosaacetate
CID 173404224
tetrakis(2-aminoacetate);cobalt(2+);nickel(2+)
CID 175457538
trimagnesium;bis(2-aminoacetate);dicarbonate
CID 173203788
tetrakis(2-aminoacetate);zirconium(4+);hydrochloride
CID 173139995
aluminum;tris(2-aminoacetate);tetrahydrochloride
CID 173183956
copper;bis(2-aminoacetate);hydrate
CID 139067245

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetate;iron(3+);diacetate?
The IUPAC name of 2-aminoacetate;iron(3+);diacetate (CID 174987571) is 2-aminoacetate;iron(3+);diacetate.
What is the SMILES notation for 2-aminoacetate;iron(3+);diacetate?
The canonical SMILES for 2-aminoacetate;iron(3+);diacetate is CC(=O)[O-].CC(=O)[O-].NCC(=O)[O-].[Fe+3].
What is the InChIKey of 2-aminoacetate;iron(3+);diacetate?
The InChIKey is RDLHSPYTDTWIFS-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H5NO2.2C2H4O2.Fe/c3-1-2(4)5;2*1-2(3)4;/h1,3H2,(H,4,5);2*1H3,(H,3,4);/q;;;+3/p-3.
What are the key properties of 2-aminoacetate;iron(3+);diacetate?
2-aminoacetate;iron(3+);diacetate has a molecular weight of 247.99 g/mol, XLogP of -4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetate;iron(3+);diacetate is sourced from PubChem (CID 174987571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).