disodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate

C8H14N2Na2O5 — CID 6454342

IUPACdisodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate
SMILESO=C([O-])CNCCN(CCO)CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C8H16N2O5.2Na/c11-4-3-10(6-8(14)15)2-1-9-5-7(12)13;;/h9,11H,1-6H2,(H,12,13)(H,14,15);;/q;2*+1/p-2
InChIKeyXCCCVBYCQIOWMA-UHFFFAOYSA-L
MW264.19 g/mol
LogP-10.62
Rot. Bonds9

About disodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate

disodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate (PubChem CID 6454342) has the molecular formula C8H14N2Na2O5 and a molecular weight of 264.19 g/mol. Its IUPAC name is disodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate.

Molecular Properties

Compound Namedisodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate
PubChem CID6454342
Molecular FormulaC8H14N2Na2O5
Molecular Weight264.19 g/mol
Exact Mass264.07
IUPAC Namedisodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate
SMILESO=C([O-])CNCCN(CCO)CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C8H16N2O5.2Na/c11-4-3-10(6-8(14)15)2-1-9-5-7(12)13;;/h9,11H,1-6H2,(H,12,13)(H,14,15);;/q;2*+1/p-2
InChIKeyXCCCVBYCQIOWMA-UHFFFAOYSA-L
XLogP-10.62
TPSA115.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 5-10.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

sodium;2-[2-[bis(carboxylatomethyl)amino]ethylamino]acetate;titanium(4+);peroxide;hydrate
CID 139141755
potassium 2-[bis(2-hydroxyethyl)amino]acetate
CID 156705178
sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate
CID 158747467
trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate
CID 91886533
disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate
CID 173463557
sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate
CID 158616989
sodium 2-(2-hydroxyethylamino)acetate
CID 23668304
trisodium;tris(2-[carboxymethyl-[2-[carboxymethyl(2-hydroxyethyl)amino]ethyl]amino]acetate)
CID 173437538
sodium 2-[bis(3-hydroxypropyl)amino]acetate
CID 23683231
tris(2-[bis[2-[[2-[carboxymethyl(methyl)amino]-2-oxoethyl]amino]ethyl]amino]acetate);gadolinium(3+)
CID 173123853
sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate
CID 23668680
sodium 2-[2-hydroxyethyl-[2-(undecanoylamino)ethyl]amino]acetate
CID 141154076

Frequently Asked Questions

What is the IUPAC name of disodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate?
The IUPAC name of disodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate (CID 6454342) is disodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate.
What is the SMILES notation for disodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate?
The canonical SMILES for disodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate is O=C([O-])CNCCN(CCO)CC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate?
The InChIKey is XCCCVBYCQIOWMA-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H16N2O5.2Na/c11-4-3-10(6-8(14)15)2-1-9-5-7(12)13;;/h9,11H,1-6H2,(H,12,13)(H,14,15);;/q;2*+1/p-2.
What are the key properties of disodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate?
disodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate has a molecular weight of 264.19 g/mol, XLogP of -10.62, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate is sourced from PubChem (CID 6454342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).