2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid

C14H15NO6 — CID 15078608

IUPAC2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H15NO6/c16-12(17)9-21-8-7-20-6-5-15-13(18)10-3-1-2-4-11(10)14(15)19/h1-4H,5-9H2,(H,16,17)
InChIKeyAGGILFWPOHHPKV-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.40
Rot. Bonds8

About 2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid

2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid (PubChem CID 15078608) has the molecular formula C14H15NO6 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid
PubChem CID15078608
Molecular FormulaC14H15NO6
Molecular Weight293.28 g/mol
Exact Mass293.09
IUPAC Name2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H15NO6/c16-12(17)9-21-8-7-20-6-5-15-13(18)10-3-1-2-4-11(10)14(15)19/h1-4H,5-9H2,(H,16,17)
InChIKeyAGGILFWPOHHPKV-UHFFFAOYSA-N
XLogP0.40
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid (CID 15078608) is 2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid is O=C(O)COCCOCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid?
The InChIKey is AGGILFWPOHHPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6/c16-12(17)9-21-8-7-20-6-5-15-13(18)10-3-1-2-4-11(10)14(15)19/h1-4H,5-9H2,(H,16,17).
What are the key properties of 2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid?
2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid has a molecular weight of 293.28 g/mol, XLogP of 0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 15078608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).