azanium;iron(3+);bis(propanedioate)

C6H8FeNO8 — CID 160868163

IUPACazanium;iron(3+);bis(propanedioate)
SMILESO=C([O-])CC(=O)[O-].O=C([O-])CC(=O)[O-].[Fe+3].[NH4+]
InChIInChI=1S/2C3H4O4.Fe.H3N/c2*4-2(5)1-3(6)7;;/h2*1H2,(H,4,5)(H,6,7);;1H3/q;;+3;/p-3
InChIKeySLKDMWMMSMYNTE-UHFFFAOYSA-K
MW277.97 g/mol
LogP-5.87
Rot. Bonds4

About azanium;iron(3+);bis(propanedioate)

azanium;iron(3+);bis(propanedioate) (PubChem CID 160868163) has the molecular formula C6H8FeNO8 and a molecular weight of 277.97 g/mol. Its IUPAC name is azanium;iron(3+);bis(propanedioate).

Molecular Properties

Compound Nameazanium;iron(3+);bis(propanedioate)
PubChem CID160868163
Molecular FormulaC6H8FeNO8
Molecular Weight277.97 g/mol
Exact Mass277.96
IUPAC Nameazanium;iron(3+);bis(propanedioate)
SMILESO=C([O-])CC(=O)[O-].O=C([O-])CC(=O)[O-].[Fe+3].[NH4+]
InChIInChI=1S/2C3H4O4.Fe.H3N/c2*4-2(5)1-3(6)7;;/h2*1H2,(H,4,5)(H,6,7);;1H3/q;;+3;/p-3
InChIKeySLKDMWMMSMYNTE-UHFFFAOYSA-K
XLogP-5.87
TPSA197.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.97
LogP ≤ 5-5.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze azanium;iron(3+);bis(propanedioate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(praseodymium(3+));tris(propanedioate)
CID 159601608
bis(neodymium(3+));tris(propanedioate)
CID 159312291
hydron;propanedioate
CID 23511544
iron(2+);propanedioate
CID 14944028
copper;propanedioate;hydrate
CID 155143676
tetraazanium;ethanolate;propanedioate
CID 141132679
butanedioate;propanedioate
CID 18423363
magnesium;butane;propanedioate
CID 18427664
triazanium;iron(3+);tris(2-sulfidoacetate)
CID 173208735
diazanium;2-methylidenebutanedioate;hydrate
CID 141442888
diazanium;2-(carboxylatomethylamino)acetate
CID 18769481
lithium;sodium;propanedioate;propanoic acid
CID 175224860

Frequently Asked Questions

What is the IUPAC name of azanium;iron(3+);bis(propanedioate)?
The IUPAC name of azanium;iron(3+);bis(propanedioate) (CID 160868163) is azanium;iron(3+);bis(propanedioate).
What is the SMILES notation for azanium;iron(3+);bis(propanedioate)?
The canonical SMILES for azanium;iron(3+);bis(propanedioate) is O=C([O-])CC(=O)[O-].O=C([O-])CC(=O)[O-].[Fe+3].[NH4+].
What is the InChIKey of azanium;iron(3+);bis(propanedioate)?
The InChIKey is SLKDMWMMSMYNTE-UHFFFAOYSA-K. The full InChI is InChI=1S/2C3H4O4.Fe.H3N/c2*4-2(5)1-3(6)7;;/h2*1H2,(H,4,5)(H,6,7);;1H3/q;;+3;/p-3.
What are the key properties of azanium;iron(3+);bis(propanedioate)?
azanium;iron(3+);bis(propanedioate) has a molecular weight of 277.97 g/mol, XLogP of -5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;iron(3+);bis(propanedioate) is sourced from PubChem (CID 160868163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).