3-[2-(2-oxoethoxy)ethoxy]propanoic acid

C7H12O5 — CID 87404633

IUPAC3-[2-(2-oxoethoxy)ethoxy]propanoic acid
SMILESO=CCOCCOCCC(=O)O
InChIInChI=1S/C7H12O5/c8-2-4-12-6-5-11-3-1-7(9)10/h2H,1,3-6H2,(H,9,10)
InChIKeyPCEMYAHHCYHCQM-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.31
Rot. Bonds8

About 3-[2-(2-oxoethoxy)ethoxy]propanoic acid

3-[2-(2-oxoethoxy)ethoxy]propanoic acid (PubChem CID 87404633) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-[2-(2-oxoethoxy)ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-oxoethoxy)ethoxy]propanoic acid
PubChem CID87404633
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name3-[2-(2-oxoethoxy)ethoxy]propanoic acid
SMILESO=CCOCCOCCC(=O)O
InChIInChI=1S/C7H12O5/c8-2-4-12-6-5-11-3-1-7(9)10/h2H,1,3-6H2,(H,9,10)
InChIKeyPCEMYAHHCYHCQM-UHFFFAOYSA-N
XLogP-0.31
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(2-oxoethoxy)ethoxy]propanoic 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

3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 167163889
3-(2-prop-2-enoxyethoxy)propanoic acid
CID 59615985
2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde
CID 86256206
3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid
CID 88588608
5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid
CID 144843622
2-[2-(2-methoxyethoxy)ethoxy]acetaldehyde
CID 10607071
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
3-[(Z)-but-2-enoxy]propanoic acid
CID 10351812
2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate
CID 89498501

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxoethoxy)ethoxy]propanoic acid?
The IUPAC name of 3-[2-(2-oxoethoxy)ethoxy]propanoic acid (CID 87404633) is 3-[2-(2-oxoethoxy)ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-(2-oxoethoxy)ethoxy]propanoic acid?
The canonical SMILES for 3-[2-(2-oxoethoxy)ethoxy]propanoic acid is O=CCOCCOCCC(=O)O.
What is the InChIKey of 3-[2-(2-oxoethoxy)ethoxy]propanoic acid?
The InChIKey is PCEMYAHHCYHCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c8-2-4-12-6-5-11-3-1-7(9)10/h2H,1,3-6H2,(H,9,10).
What are the key properties of 3-[2-(2-oxoethoxy)ethoxy]propanoic acid?
3-[2-(2-oxoethoxy)ethoxy]propanoic acid has a molecular weight of 176.17 g/mol, XLogP of -0.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxoethoxy)ethoxy]propanoic acid is sourced from PubChem (CID 87404633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).