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

C22H37NO6 — CID 138457388

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate
SMILESO=C(CCOCCOCCCC1CCCCCCCCC1)ON1C(=O)CCC1=O
InChIInChI=1S/C22H37NO6/c24-20-12-13-21(25)23(20)29-22(26)14-16-28-18-17-27-15-8-11-19-9-6-4-2-1-3-5-7-10-19/h19H,1-18H2
InChIKeyUBWIIRLFILCDSR-UHFFFAOYSA-N
MW411.54 g/mol
LogP3.94
Rot. Bonds11

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

(2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate (PubChem CID 138457388) has the molecular formula C22H37NO6 and a molecular weight of 411.54 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate
PubChem CID138457388
Molecular FormulaC22H37NO6
Molecular Weight411.54 g/mol
Exact Mass411.26
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate
SMILESO=C(CCOCCOCCCC1CCCCCCCCC1)ON1C(=O)CCC1=O
InChIInChI=1S/C22H37NO6/c24-20-12-13-21(25)23(20)29-22(26)14-16-28-18-17-27-15-8-11-19-9-6-4-2-1-3-5-7-10-19/h19H,1-18H2
InChIKeyUBWIIRLFILCDSR-UHFFFAOYSA-N
XLogP3.94
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-cyclooctyl-3-oxopropoxy)ethoxy]propanoate
CID 145439337
(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
CID 166022973
CID 166022973
(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 172913564
CID 172913564
(2,5-dioxopyrrolidin-1-yl) 3-[2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]methyl]-3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)propoxy]propanoate
CID 89137202
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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate (CID 138457388) is (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate is O=C(CCOCCOCCCC1CCCCCCCCC1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate?
The InChIKey is UBWIIRLFILCDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO6/c24-20-12-13-21(25)23(20)29-22(26)14-16-28-18-17-27-15-8-11-19-9-6-4-2-1-3-5-7-10-19/h19H,1-18H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate has a molecular weight of 411.54 g/mol, XLogP of 3.94, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate is sourced from PubChem (CID 138457388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).