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

C6H33NNa2O17 — CID 173463557

IUPACdisodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=C([O-])CN(CCO)CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H11NO5.2Na.12H2O/c8-2-1-7(3-5(9)10)4-6(11)12;;;;;;;;;;;;;;/h8H,1-4H2,(H,9,10)(H,11,12);;;12*1H2/q;2*+1;;;;;;;;;;;;/p-2
InChIKeyTVDYNFYVMCLWOT-UHFFFAOYSA-L
MW437.30 g/mol
LogP-20.11
Rot. Bonds6

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

disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate (PubChem CID 173463557) has the molecular formula C6H33NNa2O17 and a molecular weight of 437.30 g/mol. Its IUPAC name is disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate.

Molecular Properties

Compound Namedisodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate
PubChem CID173463557
Molecular FormulaC6H33NNa2O17
Molecular Weight437.30 g/mol
Exact Mass437.15
IUPAC Namedisodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=C([O-])CN(CCO)CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H11NO5.2Na.12H2O/c8-2-1-7(3-5(9)10)4-6(11)12;;;;;;;;;;;;;;/h8H,1-4H2,(H,9,10)(H,11,12);;;12*1H2/q;2*+1;;;;;;;;;;;;/p-2
InChIKeyTVDYNFYVMCLWOT-UHFFFAOYSA-L
XLogP-20.11
TPSA481.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 5-20.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate
CID 158616989
trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate
CID 91886533
potassium 2-[bis(2-hydroxyethyl)amino]acetate
CID 156705178
trisodium;tris(2-[carboxymethyl-[2-[carboxymethyl(2-hydroxyethyl)amino]ethyl]amino]acetate)
CID 173437538
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
CID 170997036
CID 170997036
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
sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;chromium(3+)
CID 11574111

Frequently Asked Questions

What is the IUPAC name of disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate?
The IUPAC name of disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate (CID 173463557) is disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate.
What is the SMILES notation for disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate?
The canonical SMILES for disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O=C([O-])CN(CCO)CC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate?
The InChIKey is TVDYNFYVMCLWOT-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H11NO5.2Na.12H2O/c8-2-1-7(3-5(9)10)4-6(11)12;;;;;;;;;;;;;;/h8H,1-4H2,(H,9,10)(H,11,12);;;12*1H2/q;2*+1;;;;;;;;;;;;/p-2.
What are the key properties of disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate?
disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate has a molecular weight of 437.30 g/mol, XLogP of -20.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate is sourced from PubChem (CID 173463557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).