(2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate

C20H31NO7 — CID 145439337

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate
SMILESO=C(CCOCCOCCC(=O)C1CCCCCCC1)ON1C(=O)CCC1=O
InChIInChI=1S/C20H31NO7/c22-17(16-6-4-2-1-3-5-7-16)10-12-26-14-15-27-13-11-20(25)28-21-18(23)8-9-19(21)24/h16H,1-15H2
InChIKeyWYYIZDLEBWGOPL-UHFFFAOYSA-N
MW397.47 g/mol
LogP2.34
Rot. Bonds11

About (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate (PubChem CID 145439337) has the molecular formula C20H31NO7 and a molecular weight of 397.47 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate
PubChem CID145439337
Molecular FormulaC20H31NO7
Molecular Weight397.47 g/mol
Exact Mass397.21
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate
SMILESO=C(CCOCCOCCC(=O)C1CCCCCCC1)ON1C(=O)CCC1=O
InChIInChI=1S/C20H31NO7/c22-17(16-6-4-2-1-3-5-7-16)10-12-26-14-15-27-13-11-20(25)28-21-18(23)8-9-19(21)24/h16H,1-15H2
InChIKeyWYYIZDLEBWGOPL-UHFFFAOYSA-N
XLogP2.34
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate 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

(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590
(2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate
CID 138457388
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;methane
CID 161065526
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 89254876
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 51340983
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 77078181
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoate
CID 135157347
CID 166022973
CID 166022973
CID 172913564
CID 172913564
3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid
CID 121295380
potassium;2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-hydroxyazanide;9-methylbicyclo[6.1.0]nonane
CID 155721295
(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-aminoethoxy)ethoxy]propanoate;ethane
CID 178089902

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate (CID 145439337) is (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate is O=C(CCOCCOCCC(=O)C1CCCCCCC1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate?
The InChIKey is WYYIZDLEBWGOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO7/c22-17(16-6-4-2-1-3-5-7-16)10-12-26-14-15-27-13-11-20(25)28-21-18(23)8-9-19(21)24/h16H,1-15H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate has a molecular weight of 397.47 g/mol, XLogP of 2.34, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate is sourced from PubChem (CID 145439337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).