sodium 2-[bis(2-hydroxyethyl)amino]acetate

C6H12NNaO4 — CID 23690434

IUPACsodium 2-[bis(2-hydroxyethyl)amino]acetate
SMILESO=C([O-])CN(CCO)CCO.[Na+]
InChIInChI=1S/C6H13NO4.Na/c8-3-1-7(2-4-9)5-6(10)11;/h8-9H,1-5H2,(H,10,11);/q;+1/p-1
InChIKeyMFBDBXAVPLFMNJ-UHFFFAOYSA-M
MW185.15 g/mol
LogP-5.97
Rot. Bonds6

About sodium 2-[bis(2-hydroxyethyl)amino]acetate

sodium 2-[bis(2-hydroxyethyl)amino]acetate (PubChem CID 23690434) has the molecular formula C6H12NNaO4 and a molecular weight of 185.15 g/mol. Its IUPAC name is sodium 2-[bis(2-hydroxyethyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[bis(2-hydroxyethyl)amino]acetate
PubChem CID23690434
Molecular FormulaC6H12NNaO4
Molecular Weight185.15 g/mol
Exact Mass185.07
IUPAC Namesodium 2-[bis(2-hydroxyethyl)amino]acetate
SMILESO=C([O-])CN(CCO)CCO.[Na+]
InChIInChI=1S/C6H13NO4.Na/c8-3-1-7(2-4-9)5-6(10)11;/h8-9H,1-5H2,(H,10,11);/q;+1/p-1
InChIKeyMFBDBXAVPLFMNJ-UHFFFAOYSA-M
XLogP-5.97
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 5-5.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Nitrilotriacetic Acid
CID 8758
Hydroxyethylethylenediaminetriacetic acid
CID 8773
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
N-methyliminodiacetic acid
CID 20441
Disodium hydroxyethyliminodiacetate
CID 8670
Disodium nitrilotriacetate monohydrate
CID 21116573
Ferric HEDTA
CID 86938

Frequently Asked Questions

What is the IUPAC name of sodium 2-[bis(2-hydroxyethyl)amino]acetate?
The IUPAC name of sodium 2-[bis(2-hydroxyethyl)amino]acetate (CID 23690434) is sodium 2-[bis(2-hydroxyethyl)amino]acetate.
What is the SMILES notation for sodium 2-[bis(2-hydroxyethyl)amino]acetate?
The canonical SMILES for sodium 2-[bis(2-hydroxyethyl)amino]acetate is O=C([O-])CN(CCO)CCO.[Na+].
What is the InChIKey of sodium 2-[bis(2-hydroxyethyl)amino]acetate?
The InChIKey is MFBDBXAVPLFMNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO4.Na/c8-3-1-7(2-4-9)5-6(10)11;/h8-9H,1-5H2,(H,10,11);/q;+1/p-1.
What are the key properties of sodium 2-[bis(2-hydroxyethyl)amino]acetate?
sodium 2-[bis(2-hydroxyethyl)amino]acetate has a molecular weight of 185.15 g/mol, XLogP of -5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[bis(2-hydroxyethyl)amino]acetate is sourced from PubChem (CID 23690434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).