2-(1-formyloxyethoxy)acetic acid

C5H8O5 — CID 88859959

IUPAC2-(1-formyloxyethoxy)acetic acid
SMILESCC(OC=O)OCC(=O)O
InChIInChI=1S/C5H8O5/c1-4(10-3-6)9-2-5(7)8/h3-4H,2H2,1H3,(H,7,8)
InChIKeyVIWQYRVVSLKMRW-UHFFFAOYSA-N
MW148.11 g/mol
LogP-0.39
Rot. Bonds5

About 2-(1-formyloxyethoxy)acetic acid

2-(1-formyloxyethoxy)acetic acid (PubChem CID 88859959) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is 2-(1-formyloxyethoxy)acetic acid.

Molecular Properties

Compound Name2-(1-formyloxyethoxy)acetic acid
PubChem CID88859959
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name2-(1-formyloxyethoxy)acetic acid
SMILESCC(OC=O)OCC(=O)O
InChIInChI=1S/C5H8O5/c1-4(10-3-6)9-2-5(7)8/h3-4H,2H2,1H3,(H,7,8)
InChIKeyVIWQYRVVSLKMRW-UHFFFAOYSA-N
XLogP-0.39
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-formyloxyethoxy)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-Hydroxy-2-methoxyacetate
CID 2724791
1,3-Dioxolane-2-carboxylic acid
CID 355326
2,2-Diethoxyacetic acid
CID 3017504
2,2-Dimethoxyacetic acid
CID 12550976
1,3-Dioxane-2-carboxylic acid
CID 53640793
Ethyl 2-ethoxy-2-hydroxyacetate
CID 95630
2-(Methoxymethoxy)acetic acid
CID 11116042
o-Dihydroxethoxyacetate
CID 44607602
p-Dihydroxyethoxyacetate
CID 44607603
2-(1-Ethoxyethoxy)propanoic acid
CID 21286131
Sodium diethoxyacetate
CID 23663712
Ethyl 2-hydroxy-2-methoxyacetate
CID 10975525

Frequently Asked Questions

What is the IUPAC name of 2-(1-formyloxyethoxy)acetic acid?
The IUPAC name of 2-(1-formyloxyethoxy)acetic acid (CID 88859959) is 2-(1-formyloxyethoxy)acetic acid.
What is the SMILES notation for 2-(1-formyloxyethoxy)acetic acid?
The canonical SMILES for 2-(1-formyloxyethoxy)acetic acid is CC(OC=O)OCC(=O)O.
What is the InChIKey of 2-(1-formyloxyethoxy)acetic acid?
The InChIKey is VIWQYRVVSLKMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5/c1-4(10-3-6)9-2-5(7)8/h3-4H,2H2,1H3,(H,7,8).
What are the key properties of 2-(1-formyloxyethoxy)acetic acid?
2-(1-formyloxyethoxy)acetic acid has a molecular weight of 148.11 g/mol, XLogP of -0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-formyloxyethoxy)acetic acid is sourced from PubChem (CID 88859959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).