methyl 2-hydroxy-2-methoxyacetate

C4H8O4 — CID 2724791

IUPACmethyl 2-hydroxy-2-methoxyacetate
SMILESCOC(=O)C(O)OC
InChIInChI=1S/C4H8O4/c1-7-3(5)4(6)8-2/h3,5H,1-2H3
InChIKeyOVJJVYHDJVQFSF-UHFFFAOYSA-N
MW120.10 g/mol
LogP-0.88
Rot. Bonds2

About methyl 2-hydroxy-2-methoxyacetate

methyl 2-hydroxy-2-methoxyacetate (PubChem CID 2724791) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methoxyacetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methoxyacetate
PubChem CID2724791
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Namemethyl 2-hydroxy-2-methoxyacetate
SMILESCOC(=O)C(O)OC
InChIInChI=1S/C4H8O4/c1-7-3(5)4(6)8-2/h3,5H,1-2H3
InChIKeyOVJJVYHDJVQFSF-UHFFFAOYSA-N
XLogP-0.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methoxyacetate?
The IUPAC name of methyl 2-hydroxy-2-methoxyacetate (CID 2724791) is methyl 2-hydroxy-2-methoxyacetate.
What is the SMILES notation for methyl 2-hydroxy-2-methoxyacetate?
The canonical SMILES for methyl 2-hydroxy-2-methoxyacetate is COC(=O)C(O)OC.
What is the InChIKey of methyl 2-hydroxy-2-methoxyacetate?
The InChIKey is OVJJVYHDJVQFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4/c1-7-3(5)4(6)8-2/h3,5H,1-2H3.
What are the key properties of methyl 2-hydroxy-2-methoxyacetate?
methyl 2-hydroxy-2-methoxyacetate has a molecular weight of 120.10 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methoxyacetate is sourced from PubChem (CID 2724791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).