sodium 2-(2-hydroxyethoxy)acetate

C4H7NaO4 — CID 23665015

IUPACsodium 2-(2-hydroxyethoxy)acetate
SMILESO=C([O-])COCCO.[Na+]
InChIInChI=1S/C4H8O4.Na/c5-1-2-8-3-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1
InChIKeyCEAQLKGSEMCNNR-UHFFFAOYSA-M
MW142.09 g/mol
LogP-5.25
Rot. Bonds4

About sodium 2-(2-hydroxyethoxy)acetate

sodium 2-(2-hydroxyethoxy)acetate (PubChem CID 23665015) has the molecular formula C4H7NaO4 and a molecular weight of 142.09 g/mol. Its IUPAC name is sodium 2-(2-hydroxyethoxy)acetate.

Molecular Properties

Compound Namesodium 2-(2-hydroxyethoxy)acetate
PubChem CID23665015
Molecular FormulaC4H7NaO4
Molecular Weight142.09 g/mol
Exact Mass142.02
IUPAC Namesodium 2-(2-hydroxyethoxy)acetate
SMILESO=C([O-])COCCO.[Na+]
InChIInChI=1S/C4H8O4.Na/c5-1-2-8-3-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1
InChIKeyCEAQLKGSEMCNNR-UHFFFAOYSA-M
XLogP-5.25
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.09
LogP ≤ 5-5.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-hydroxyethoxy)acetate?
The IUPAC name of sodium 2-(2-hydroxyethoxy)acetate (CID 23665015) is sodium 2-(2-hydroxyethoxy)acetate.
What is the SMILES notation for sodium 2-(2-hydroxyethoxy)acetate?
The canonical SMILES for sodium 2-(2-hydroxyethoxy)acetate is O=C([O-])COCCO.[Na+].
What is the InChIKey of sodium 2-(2-hydroxyethoxy)acetate?
The InChIKey is CEAQLKGSEMCNNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O4.Na/c5-1-2-8-3-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1.
What are the key properties of sodium 2-(2-hydroxyethoxy)acetate?
sodium 2-(2-hydroxyethoxy)acetate has a molecular weight of 142.09 g/mol, XLogP of -5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-hydroxyethoxy)acetate is sourced from PubChem (CID 23665015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).