azane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron

C6H11FeNO7 — CID 174337721

IUPACazane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron
SMILESCC(O)C(C(=O)O)(C(=O)O)C(=O)O.N.[Fe]
InChIInChI=1S/C6H8O7.Fe.H3N/c1-2(7)6(3(8)9,4(10)11)5(12)13;;/h2,7H,1H3,(H,8,9)(H,10,11)(H,12,13);;1H3
InChIKeyCRSGISBOHBWGTH-UHFFFAOYSA-N
MW265.00 g/mol
LogP-1.23
Rot. Bonds4

About azane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron

azane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron (PubChem CID 174337721) has the molecular formula C6H11FeNO7 and a molecular weight of 265.00 g/mol. Its IUPAC name is azane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron.

Molecular Properties

Compound Nameazane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron
PubChem CID174337721
Molecular FormulaC6H11FeNO7
Molecular Weight265.00 g/mol
Exact Mass264.99
IUPAC Nameazane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron
SMILESCC(O)C(C(=O)O)(C(=O)O)C(=O)O.N.[Fe]
InChIInChI=1S/C6H8O7.Fe.H3N/c1-2(7)6(3(8)9,4(10)11)5(12)13;;/h2,7H,1H3,(H,8,9)(H,10,11)(H,12,13);;1H3
InChIKeyCRSGISBOHBWGTH-UHFFFAOYSA-N
XLogP-1.23
TPSA167.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.00
LogP ≤ 5-1.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropanoic acid
CID 173073412
azane;bis(2-hydroxypropanoic acid);dihydrate
CID 175182487
3-hydroxy-2-methyl-2-phosphorosobutanoic acid
CID 151397531
2-hydroxypentane-1,1,1-tricarboxylic acid
CID 175083274
2-hydroxypropanoic acid
CID 87075455
alumane;2-methylpropanoic acid
CID 173068323
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
CID 161404788
CID 161404788
methanol;2-methylpropanoic acid
CID 159214919
azane;2-methylpropanoic acid;hydrate
CID 161320294
azane;2-hydroxypropanoic acid;oxotitanium
CID 175450174

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron?
The IUPAC name of azane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron (CID 174337721) is azane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron.
What is the SMILES notation for azane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron?
The canonical SMILES for azane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron is CC(O)C(C(=O)O)(C(=O)O)C(=O)O.N.[Fe].
What is the InChIKey of azane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron?
The InChIKey is CRSGISBOHBWGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.Fe.H3N/c1-2(7)6(3(8)9,4(10)11)5(12)13;;/h2,7H,1H3,(H,8,9)(H,10,11)(H,12,13);;1H3.
What are the key properties of azane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron?
azane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron has a molecular weight of 265.00 g/mol, XLogP of -1.23, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron is sourced from PubChem (CID 174337721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).