disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol

C12H20N2Na2O10 — CID 173350025

IUPACdisodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol
SMILESO=C([O-])CN(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-].OCCO.[Na+].[Na+]
InChIInChI=1S/C10H16N2O8.C2H6O2.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;3-1-2-4;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);3-4H,1-2H2;;/q;;2*+1/p-2
InChIKeyZWSTZTMLZMPZBG-UHFFFAOYSA-L
MW398.28 g/mol
LogP-11.76
Rot. Bonds12

About disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol

disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol (PubChem CID 173350025) has the molecular formula C12H20N2Na2O10 and a molecular weight of 398.28 g/mol. Its IUPAC name is disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol.

Molecular Properties

Compound Namedisodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol
PubChem CID173350025
Molecular FormulaC12H20N2Na2O10
Molecular Weight398.28 g/mol
Exact Mass398.09
IUPAC Namedisodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol
SMILESO=C([O-])CN(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-].OCCO.[Na+].[Na+]
InChIInChI=1S/C10H16N2O8.C2H6O2.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;3-1-2-4;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);3-4H,1-2H2;;/q;;2*+1/p-2
InChIKeyZWSTZTMLZMPZBG-UHFFFAOYSA-L
XLogP-11.76
TPSA201.80 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 5-11.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trisodium;tris(2-[carboxymethyl-[2-[carboxymethyl(2-hydroxyethyl)amino]ethyl]amino]acetate)
CID 173437538
dipotassium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 173100294
trisodium;2-[bis(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 175837109
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
dicalcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;chloride
CID 175289098
azanium;sodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;hydrate
CID 118855692
trisodium;2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;methane
CID 172874974

Frequently Asked Questions

What is the IUPAC name of disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol?
The IUPAC name of disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol (CID 173350025) is disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol.
What is the SMILES notation for disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol?
The canonical SMILES for disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol is O=C([O-])CN(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-].OCCO.[Na+].[Na+].
What is the InChIKey of disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol?
The InChIKey is ZWSTZTMLZMPZBG-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H16N2O8.C2H6O2.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;3-1-2-4;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);3-4H,1-2H2;;/q;;2*+1/p-2.
What are the key properties of disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol?
disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol has a molecular weight of 398.28 g/mol, XLogP of -11.76, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;ethane-1,2-diol is sourced from PubChem (CID 173350025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).