sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate

C6H11FeNNaO6+ — CID 158616989

IUPACsodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate
SMILESO.O=C([O-])CN(CCO)CC(=O)[O-].[Fe+2].[Na+]
InChIInChI=1S/C6H11NO5.Fe.Na.H2O/c8-2-1-7(3-5(9)10)4-6(11)12;;;/h8H,1-4H2,(H,9,10)(H,11,12);;;1H2/q;+2;+1;/p-2
InChIKeyHXMZZYIWWSRWRW-UHFFFAOYSA-L
MW271.99 g/mol
LogP-8.04
Rot. Bonds6

About sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate

sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate (PubChem CID 158616989) has the molecular formula C6H11FeNNaO6+ and a molecular weight of 271.99 g/mol. Its IUPAC name is sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate.

Molecular Properties

Compound Namesodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate
PubChem CID158616989
Molecular FormulaC6H11FeNNaO6+
Molecular Weight271.99 g/mol
Exact Mass271.98
IUPAC Namesodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate
SMILESO.O=C([O-])CN(CCO)CC(=O)[O-].[Fe+2].[Na+]
InChIInChI=1S/C6H11NO5.Fe.Na.H2O/c8-2-1-7(3-5(9)10)4-6(11)12;;;/h8H,1-4H2,(H,9,10)(H,11,12);;;1H2/q;+2;+1;/p-2
InChIKeyHXMZZYIWWSRWRW-UHFFFAOYSA-L
XLogP-8.04
TPSA135.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.99
LogP ≤ 5-8.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate
CID 173463557
trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate
CID 91886533
potassium 2-[bis(2-hydroxyethyl)amino]acetate
CID 156705178
trisodium;tris(2-[carboxymethyl-[2-[carboxymethyl(2-hydroxyethyl)amino]ethyl]amino]acetate)
CID 173437538
sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(3+);trihydrate
CID 71306809
copper;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydrate
CID 178185986
heptasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 23616700
CID 170997036
CID 170997036
magnesium;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 21123918
hexasodium;bis(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate);nickel(2+)
CID 159433382
disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydron
CID 18401221
sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;chromium(3+)
CID 11574111

Frequently Asked Questions

What is the IUPAC name of sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate?
The IUPAC name of sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate (CID 158616989) is sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate.
What is the SMILES notation for sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate?
The canonical SMILES for sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate is O.O=C([O-])CN(CCO)CC(=O)[O-].[Fe+2].[Na+].
What is the InChIKey of sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate?
The InChIKey is HXMZZYIWWSRWRW-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H11NO5.Fe.Na.H2O/c8-2-1-7(3-5(9)10)4-6(11)12;;;/h8H,1-4H2,(H,9,10)(H,11,12);;;1H2/q;+2;+1;/p-2.
What are the key properties of sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate?
sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate has a molecular weight of 271.99 g/mol, XLogP of -8.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate is sourced from PubChem (CID 158616989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).