trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate

C10H19N2Na3O9 — CID 91886533

IUPACtrisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate
SMILESO.O.O=C([O-])CN(CCO)CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C10H18N2O7.3Na.2H2O/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;;;;;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);;;;2*1H2/q;3*+1;;/p-3
InChIKeyOZUUPYWSTSNOIT-UHFFFAOYSA-K
MW380.24 g/mol
LogP-16.81
Rot. Bonds11

About trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate

trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate (PubChem CID 91886533) has the molecular formula C10H19N2Na3O9 and a molecular weight of 380.24 g/mol. Its IUPAC name is trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate.

Molecular Properties

Compound Nametrisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate
PubChem CID91886533
Molecular FormulaC10H19N2Na3O9
Molecular Weight380.24 g/mol
Exact Mass380.08
IUPAC Nametrisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate
SMILESO.O.O=C([O-])CN(CCO)CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C10H18N2O7.3Na.2H2O/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;;;;;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);;;;2*1H2/q;3*+1;;/p-3
InChIKeyOZUUPYWSTSNOIT-UHFFFAOYSA-K
XLogP-16.81
TPSA210.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 5-16.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate
CID 173463557
sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate
CID 158616989
trisodium;tris(2-[carboxymethyl-[2-[carboxymethyl(2-hydroxyethyl)amino]ethyl]amino]acetate)
CID 173437538
CID 170997036
CID 170997036
potassium 2-[bis(2-hydroxyethyl)amino]acetate
CID 156705178
copper;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydrate
CID 178185986
sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(3+);trihydrate
CID 71306809
heptasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 23616700
heptakis(2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate);pentakis(technetium(7+))
CID 173079714
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

Frequently Asked Questions

What is the IUPAC name of trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate?
The IUPAC name of trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate (CID 91886533) is trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate.
What is the SMILES notation for trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate?
The canonical SMILES for trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate is O.O.O=C([O-])CN(CCO)CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate?
The InChIKey is OZUUPYWSTSNOIT-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H18N2O7.3Na.2H2O/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;;;;;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);;;;2*1H2/q;3*+1;;/p-3.
What are the key properties of trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate?
trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate has a molecular weight of 380.24 g/mol, XLogP of -16.81, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate is sourced from PubChem (CID 91886533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).