2-hydroxybutanedioic acid;iron

C4H6Fe2O5 — CID 174146167

IUPAC2-hydroxybutanedioic acid;iron
SMILESO=C(O)CC(O)C(=O)O.[Fe].[Fe]
InChIInChI=1S/C4H6O5.2Fe/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;
InChIKeyOQCKOFHNFCEEPF-UHFFFAOYSA-N
MW245.78 g/mol
LogP-1.10
Rot. Bonds3

About 2-hydroxybutanedioic acid;iron

2-hydroxybutanedioic acid;iron (PubChem CID 174146167) has the molecular formula C4H6Fe2O5 and a molecular weight of 245.78 g/mol. Its IUPAC name is 2-hydroxybutanedioic acid;iron.

Molecular Properties

Compound Name2-hydroxybutanedioic acid;iron
PubChem CID174146167
Molecular FormulaC4H6Fe2O5
Molecular Weight245.78 g/mol
Exact Mass245.89
IUPAC Name2-hydroxybutanedioic acid;iron
SMILESO=C(O)CC(O)C(=O)O.[Fe].[Fe]
InChIInChI=1S/C4H6O5.2Fe/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;
InChIKeyOQCKOFHNFCEEPF-UHFFFAOYSA-N
XLogP-1.10
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cobalt;2-hydroxybutanedioic acid
CID 87544145
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
azane;bismuthane;2-hydroxybutanedioic acid
CID 173447177
2-hydroxybutanedioic acid;hydrate;hydrochloride
CID 172717640
boric acid;bis(2-hydroxybutanedioic acid)
CID 175869930
acetic acid;copper;2-hydroxybutanedioic acid
CID 175107089
2-aminoacetic acid;2-hydroxybutanedioic acid
CID 87750134
sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide
CID 173385796
(Z)-but-2-enedioic acid;2-hydroxybutanedioic acid
CID 87256588
ethanethioic S-acid;2-hydroxybutanedioic acid
CID 174988031
2-hydroxybutanedioic acid;methylsulfinylmethane
CID 175504594
2-aminobutanedioic acid;2-hydroxybutanedioic acid
CID 87166699

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutanedioic acid;iron?
The IUPAC name of 2-hydroxybutanedioic acid;iron (CID 174146167) is 2-hydroxybutanedioic acid;iron.
What is the SMILES notation for 2-hydroxybutanedioic acid;iron?
The canonical SMILES for 2-hydroxybutanedioic acid;iron is O=C(O)CC(O)C(=O)O.[Fe].[Fe].
What is the InChIKey of 2-hydroxybutanedioic acid;iron?
The InChIKey is OQCKOFHNFCEEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5.2Fe/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;.
What are the key properties of 2-hydroxybutanedioic acid;iron?
2-hydroxybutanedioic acid;iron has a molecular weight of 245.78 g/mol, XLogP of -1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanedioic acid;iron is sourced from PubChem (CID 174146167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).