2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid

C6H8O5 — CID 151015738

IUPAC2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid
SMILESCC(OC(=O)C(=O)O)C1CO1
InChIInChI=1S/C6H8O5/c1-3(4-2-10-4)11-6(9)5(7)8/h3-4H,2H2,1H3,(H,7,8)
InChIKeyLXAPPUTUMAWXFP-UHFFFAOYSA-N
MW160.12 g/mol
LogP-0.60
Rot. Bonds2

About 2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid

2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid (PubChem CID 151015738) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is 2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid
PubChem CID151015738
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid
SMILESCC(OC(=O)C(=O)O)C1CO1
InChIInChI=1S/C6H8O5/c1-3(4-2-10-4)11-6(9)5(7)8/h3-4H,2H2,1H3,(H,7,8)
InChIKeyLXAPPUTUMAWXFP-UHFFFAOYSA-N
XLogP-0.60
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid?
The IUPAC name of 2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid (CID 151015738) is 2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid.
What is the SMILES notation for 2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid?
The canonical SMILES for 2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid is CC(OC(=O)C(=O)O)C1CO1.
What is the InChIKey of 2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid?
The InChIKey is LXAPPUTUMAWXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c1-3(4-2-10-4)11-6(9)5(7)8/h3-4H,2H2,1H3,(H,7,8).
What are the key properties of 2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid?
2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid has a molecular weight of 160.12 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid is sourced from PubChem (CID 151015738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).