sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)

C12H20FeN2NaO6+3 — CID 25052150

IUPACsodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)
SMILESCC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(C)=O.[Fe+2].[Na+]
InChIInChI=1S/C12H20N2O6.Fe.Na/c1-9(15)5-13(6-10(2)16)3-4-14(7-11(17)18)8-12(19)20;;/h3-8H2,1-2H3,(H,17,18)(H,19,20);;/q;+2;+1
InChIKeyMSPBTHQQZLLBHW-UHFFFAOYSA-N
MW367.14 g/mol
LogP-4.06
Rot. Bonds11

About sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)

sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+) (PubChem CID 25052150) has the molecular formula C12H20FeN2NaO6+3 and a molecular weight of 367.14 g/mol. Its IUPAC name is sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+).

Molecular Properties

Compound Namesodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)
PubChem CID25052150
Molecular FormulaC12H20FeN2NaO6+3
Molecular Weight367.14 g/mol
Exact Mass367.06
IUPAC Namesodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)
SMILESCC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(C)=O.[Fe+2].[Na+]
InChIInChI=1S/C12H20N2O6.Fe.Na/c1-9(15)5-13(6-10(2)16)3-4-14(7-11(17)18)8-12(19)20;;/h3-8H2,1-2H3,(H,17,18)(H,19,20);;/q;+2;+1
InChIKeyMSPBTHQQZLLBHW-UHFFFAOYSA-N
XLogP-4.06
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.14
LogP ≤ 5-4.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961
sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate
CID 87075460
2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid
CID 91150054
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)
CID 6396686
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid
CID 173083279
magnesium;disodium;bis(2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid);hydride
CID 173152374
disodium;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(3+)
CID 139596317
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
CID 118382822
CID 131881711
CID 131881711
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598

Frequently Asked Questions

What is the IUPAC name of sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)?
The IUPAC name of sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+) (CID 25052150) is sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+).
What is the SMILES notation for sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)?
The canonical SMILES for sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+) is CC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(C)=O.[Fe+2].[Na+].
What is the InChIKey of sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)?
The InChIKey is MSPBTHQQZLLBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6.Fe.Na/c1-9(15)5-13(6-10(2)16)3-4-14(7-11(17)18)8-12(19)20;;/h3-8H2,1-2H3,(H,17,18)(H,19,20);;/q;+2;+1.
What are the key properties of sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)?
sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+) has a molecular weight of 367.14 g/mol, XLogP of -4.06, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+) is sourced from PubChem (CID 25052150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).