2-hydroxyacetate;iron(2+)

C2H3FeO3+ — CID 18504415

IUPAC2-hydroxyacetate;iron(2+)
SMILESO=C([O-])CO.[Fe+2]
InChIInChI=1S/C2H4O3.Fe/c3-1-2(4)5;/h3H,1H2,(H,4,5);/q;+2/p-1
InChIKeyMILTULYKNNTWBL-UHFFFAOYSA-M
MW130.89 g/mol
LogP-2.27
Rot. Bonds1

About 2-hydroxyacetate;iron(2+)

2-hydroxyacetate;iron(2+) (PubChem CID 18504415) has the molecular formula C2H3FeO3+ and a molecular weight of 130.89 g/mol. Its IUPAC name is 2-hydroxyacetate;iron(2+).

Molecular Properties

Compound Name2-hydroxyacetate;iron(2+)
PubChem CID18504415
Molecular FormulaC2H3FeO3+
Molecular Weight130.89 g/mol
Exact Mass130.94
IUPAC Name2-hydroxyacetate;iron(2+)
SMILESO=C([O-])CO.[Fe+2]
InChIInChI=1S/C2H4O3.Fe/c3-1-2(4)5;/h3H,1H2,(H,4,5);/q;+2/p-1
InChIKeyMILTULYKNNTWBL-UHFFFAOYSA-M
XLogP-2.27
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.89
LogP ≤ 5-2.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetate;iron(2+)?
The IUPAC name of 2-hydroxyacetate;iron(2+) (CID 18504415) is 2-hydroxyacetate;iron(2+).
What is the SMILES notation for 2-hydroxyacetate;iron(2+)?
The canonical SMILES for 2-hydroxyacetate;iron(2+) is O=C([O-])CO.[Fe+2].
What is the InChIKey of 2-hydroxyacetate;iron(2+)?
The InChIKey is MILTULYKNNTWBL-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O3.Fe/c3-1-2(4)5;/h3H,1H2,(H,4,5);/q;+2/p-1.
What are the key properties of 2-hydroxyacetate;iron(2+)?
2-hydroxyacetate;iron(2+) has a molecular weight of 130.89 g/mol, XLogP of -2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetate;iron(2+) is sourced from PubChem (CID 18504415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).