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

C6H9NNa2O5 — CID 8670

IUPACdisodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate
SMILESO=C([O-])CN(CCO)CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H11NO5.2Na/c8-2-1-7(3-5(9)10)4-6(11)12;;/h8H,1-4H2,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKeyZTVCAEHRNBOTLI-UHFFFAOYSA-L
MW221.12 g/mol
LogP-10.21
Rot. Bonds6

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

disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate (PubChem CID 8670) has the molecular formula C6H9NNa2O5 and a molecular weight of 221.12 g/mol. Its IUPAC name is disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate.

Molecular Properties

Compound Namedisodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate
PubChem CID8670
Molecular FormulaC6H9NNa2O5
Molecular Weight221.12 g/mol
Exact Mass221.03
IUPAC Namedisodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate
SMILESO=C([O-])CN(CCO)CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H11NO5.2Na/c8-2-1-7(3-5(9)10)4-6(11)12;;/h8H,1-4H2,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKeyZTVCAEHRNBOTLI-UHFFFAOYSA-L
XLogP-10.21
TPSA103.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 5-10.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Nitrilotriacetic Acid
CID 8758
Bicine
CID 8761
Trisodium nitrilotriacetate monohydrate
CID 29194
Trisodium N-hydroxyethylethylenediaminetriacetate
CID 8772
(2-Hydroxyethyl)iminodiacetic acid
CID 7152
Disodium nitrilotriacetate
CID 27301
Sodium nitriloacetate
CID 23674482
Glycine, N,N-bis(2-hydroxyethyl)-, sodium salt (1:1)
CID 23690434
Disodium nitrilotriacetate monohydrate
CID 21116573
Disodium HEDTA
CID 56841718
Monosodium HEDTA
CID 71301162
N-(2-Hydroxyethyl)-N-methylglycine
CID 11446353

Frequently Asked Questions

What is the IUPAC name of disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate?
The IUPAC name of disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate (CID 8670) is disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate.
What is the SMILES notation for disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate?
The canonical SMILES for disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate is O=C([O-])CN(CCO)CC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate?
The InChIKey is ZTVCAEHRNBOTLI-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H11NO5.2Na/c8-2-1-7(3-5(9)10)4-6(11)12;;/h8H,1-4H2,(H,9,10)(H,11,12);;/q;2*+1/p-2.
What are the key properties of disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate?
disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate has a molecular weight of 221.12 g/mol, XLogP of -10.21, 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 is sourced from PubChem (CID 8670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).