2-[2-(carboxymethoxy)ethenoxy]acetic acid

C6H8O6 — CID 91328035

IUPAC2-[2-(carboxymethoxy)ethenoxy]acetic acid
SMILESO=C(O)COC=COCC(=O)O
InChIInChI=1S/C6H8O6/c7-5(8)3-11-1-2-12-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)
InChIKeyUEOMEVOYALVVEU-UHFFFAOYSA-N
MW176.12 g/mol
LogP-0.34
Rot. Bonds6

About 2-[2-(carboxymethoxy)ethenoxy]acetic acid

2-[2-(carboxymethoxy)ethenoxy]acetic acid (PubChem CID 91328035) has the molecular formula C6H8O6 and a molecular weight of 176.12 g/mol. Its IUPAC name is 2-[2-(carboxymethoxy)ethenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(carboxymethoxy)ethenoxy]acetic acid
PubChem CID91328035
Molecular FormulaC6H8O6
Molecular Weight176.12 g/mol
Exact Mass176.03
IUPAC Name2-[2-(carboxymethoxy)ethenoxy]acetic acid
SMILESO=C(O)COC=COCC(=O)O
InChIInChI=1S/C6H8O6/c7-5(8)3-11-1-2-12-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)
InChIKeyUEOMEVOYALVVEU-UHFFFAOYSA-N
XLogP-0.34
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethoxy)ethenoxy]acetic acid?
The IUPAC name of 2-[2-(carboxymethoxy)ethenoxy]acetic acid (CID 91328035) is 2-[2-(carboxymethoxy)ethenoxy]acetic acid.
What is the SMILES notation for 2-[2-(carboxymethoxy)ethenoxy]acetic acid?
The canonical SMILES for 2-[2-(carboxymethoxy)ethenoxy]acetic acid is O=C(O)COC=COCC(=O)O.
What is the InChIKey of 2-[2-(carboxymethoxy)ethenoxy]acetic acid?
The InChIKey is UEOMEVOYALVVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O6/c7-5(8)3-11-1-2-12-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10).
What are the key properties of 2-[2-(carboxymethoxy)ethenoxy]acetic acid?
2-[2-(carboxymethoxy)ethenoxy]acetic acid has a molecular weight of 176.12 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethoxy)ethenoxy]acetic acid is sourced from PubChem (CID 91328035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).