2-ethoxyacetic acid

C4H8O3 — CID 12301

IUPAC2-ethoxyacetic acid
SMILESCCOCC(=O)O
InChIInChI=1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKeyYZGQDNOIGFBYKF-UHFFFAOYSA-N
MW104.11 g/mol
LogP0.11
Rot. Bonds3

About 2-ethoxyacetic acid

2-ethoxyacetic acid (PubChem CID 12301) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is 2-ethoxyacetic acid.

Molecular Properties

Compound Name2-ethoxyacetic acid
PubChem CID12301
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Name2-ethoxyacetic acid
SMILESCCOCC(=O)O
InChIInChI=1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKeyYZGQDNOIGFBYKF-UHFFFAOYSA-N
XLogP0.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyacetic acid?
The IUPAC name of 2-ethoxyacetic acid (CID 12301) is 2-ethoxyacetic acid.
What is the SMILES notation for 2-ethoxyacetic acid?
The canonical SMILES for 2-ethoxyacetic acid is CCOCC(=O)O.
What is the InChIKey of 2-ethoxyacetic acid?
The InChIKey is YZGQDNOIGFBYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6).
What are the key properties of 2-ethoxyacetic acid?
2-ethoxyacetic acid has a molecular weight of 104.11 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyacetic acid is sourced from PubChem (CID 12301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).