sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron;molecular hydrogen

C10H16FeN2NaO8- — CID 100981794

IUPACsodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron;molecular hydrogen
SMILESO=C([O-])CN(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-].[Fe].[H][H].[Na+]
InChIInChI=1S/C10H16N2O8.Fe.Na.H2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;1H/q;;+1;/p-2
InChIKeyAUQWIDLPSCNMQI-UHFFFAOYSA-L
MW371.08 g/mol
LogP-7.49
Rot. Bonds11

About sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron;molecular hydrogen

sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron;molecular hydrogen (PubChem CID 100981794) has the molecular formula C10H16FeN2NaO8- and a molecular weight of 371.08 g/mol. Its IUPAC name is sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron;molecular hydrogen.

Molecular Properties

Compound Namesodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron;molecular hydrogen
PubChem CID100981794
Molecular FormulaC10H16FeN2NaO8-
Molecular Weight371.08 g/mol
Exact Mass371.02
IUPAC Namesodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron;molecular hydrogen
SMILESO=C([O-])CN(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-].[Fe].[H][H].[Na+]
InChIInChI=1S/C10H16N2O8.Fe.Na.H2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;1H/q;;+1;/p-2
InChIKeyAUQWIDLPSCNMQI-UHFFFAOYSA-L
XLogP-7.49
TPSA161.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.08
LogP ≤ 5-7.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

trisodium;2-[bis(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 175837109
dipotassium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 173100294
disodium;azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 173365071
disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;heptahydrate
CID 173335259
disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;tetrahydrate
CID 18996428
trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;trihydrate
CID 5284392
disodium;azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;trihydrate
CID 172753841
disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;cadmium;hydrate
CID 91886326
azanium;sodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;hydrate
CID 118855692
dicalcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;chloride
CID 175289098
trisodium;2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;methane
CID 172874974
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;tin(2+)
CID 101283521

Frequently Asked Questions

What is the IUPAC name of sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron;molecular hydrogen?
The IUPAC name of sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron;molecular hydrogen (CID 100981794) is sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron;molecular hydrogen.
What is the SMILES notation for sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron;molecular hydrogen?
The canonical SMILES for sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron;molecular hydrogen is O=C([O-])CN(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-].[Fe].[H][H].[Na+].
What is the InChIKey of sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron;molecular hydrogen?
The InChIKey is AUQWIDLPSCNMQI-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H16N2O8.Fe.Na.H2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;1H/q;;+1;/p-2.
What are the key properties of sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron;molecular hydrogen?
sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron;molecular hydrogen has a molecular weight of 371.08 g/mol, XLogP of -7.49, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron;molecular hydrogen is sourced from PubChem (CID 100981794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).