sodium 2-methoxyacetate

C3H5NaO3 — CID 4114130

IUPACsodium 2-methoxyacetate
SMILESCOCC(=O)[O-].[Na+]
InChIInChI=1S/C3H6O3.Na/c1-6-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
InChIKeyCEWQOBFWNPUNRO-UHFFFAOYSA-M
MW112.06 g/mol
LogP-4.61
Rot. Bonds2

About sodium 2-methoxyacetate

sodium 2-methoxyacetate (PubChem CID 4114130) has the molecular formula C3H5NaO3 and a molecular weight of 112.06 g/mol. Its IUPAC name is sodium 2-methoxyacetate.

Molecular Properties

Compound Namesodium 2-methoxyacetate
PubChem CID4114130
Molecular FormulaC3H5NaO3
Molecular Weight112.06 g/mol
Exact Mass112.01
IUPAC Namesodium 2-methoxyacetate
SMILESCOCC(=O)[O-].[Na+]
InChIInChI=1S/C3H6O3.Na/c1-6-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
InChIKeyCEWQOBFWNPUNRO-UHFFFAOYSA-M
XLogP-4.61
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.06
LogP ≤ 5-4.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 12251
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CID 80507
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CID 77544
CID 77544
CID 325385
CID 325385
CID 58451454
CID 58451454
CID 161333
CID 161333
CID 21943339
CID 21943339
CID 23665746
CID 23665746
CID 101624464
CID 101624464
CID 23677885
CID 23677885
CID 23705439
CID 23705439

Frequently Asked Questions

What is the IUPAC name of sodium 2-methoxyacetate?
The IUPAC name of sodium 2-methoxyacetate (CID 4114130) is sodium 2-methoxyacetate.
What is the SMILES notation for sodium 2-methoxyacetate?
The canonical SMILES for sodium 2-methoxyacetate is COCC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-methoxyacetate?
The InChIKey is CEWQOBFWNPUNRO-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O3.Na/c1-6-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1.
What are the key properties of sodium 2-methoxyacetate?
sodium 2-methoxyacetate has a molecular weight of 112.06 g/mol, XLogP of -4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methoxyacetate is sourced from PubChem (CID 4114130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).