(2,5-dioxo-3-propylpyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate

C18H24N2O8 — CID 130396572

IUPAC(2,5-dioxo-3-propylpyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate
SMILESCCCC1CC(=O)N(OC(=O)CCOCCOCCN2C(=O)C=CC2=O)C1=O
InChIInChI=1S/C18H24N2O8/c1-2-3-13-12-16(23)20(18(13)25)28-17(24)6-8-26-10-11-27-9-7-19-14(21)4-5-15(19)22/h4-5,13H,2-3,6-12H2,1H3
InChIKeyLEYICPNIZSIBAR-UHFFFAOYSA-N
MW396.40 g/mol
LogP-0.03
Rot. Bonds12

About (2,5-dioxo-3-propylpyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate

(2,5-dioxo-3-propylpyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate (PubChem CID 130396572) has the molecular formula C18H24N2O8 and a molecular weight of 396.40 g/mol. Its IUPAC name is (2,5-dioxo-3-propylpyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name(2,5-dioxo-3-propylpyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate
PubChem CID130396572
Molecular FormulaC18H24N2O8
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name(2,5-dioxo-3-propylpyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate
SMILESCCCC1CC(=O)N(OC(=O)CCOCCOCCN2C(=O)C=CC2=O)C1=O
InChIInChI=1S/C18H24N2O8/c1-2-3-13-12-16(23)20(18(13)25)28-17(24)6-8-26-10-11-27-9-7-19-14(21)4-5-15(19)22/h4-5,13H,2-3,6-12H2,1H3
InChIKeyLEYICPNIZSIBAR-UHFFFAOYSA-N
XLogP-0.03
TPSA119.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoate
CID 77078335
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170899516
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078334
1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 139443419
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 160762335
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 156597084
1-[3-[2-[2-[3-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
CID 146633111
1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 129062101
3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-ethylpropanamide
CID 144940675
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]ethoxy]propanoate
CID 169032235
(2,5-dioxo-3-propylpyrrolidin-1-yl) hydrogen sulfite
CID 174738579
1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 134403550

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxo-3-propylpyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate?
The IUPAC name of (2,5-dioxo-3-propylpyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate (CID 130396572) is (2,5-dioxo-3-propylpyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate.
What is the SMILES notation for (2,5-dioxo-3-propylpyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate?
The canonical SMILES for (2,5-dioxo-3-propylpyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate is CCCC1CC(=O)N(OC(=O)CCOCCOCCN2C(=O)C=CC2=O)C1=O.
What is the InChIKey of (2,5-dioxo-3-propylpyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate?
The InChIKey is LEYICPNIZSIBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O8/c1-2-3-13-12-16(23)20(18(13)25)28-17(24)6-8-26-10-11-27-9-7-19-14(21)4-5-15(19)22/h4-5,13H,2-3,6-12H2,1H3.
What are the key properties of (2,5-dioxo-3-propylpyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate?
(2,5-dioxo-3-propylpyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate has a molecular weight of 396.40 g/mol, XLogP of -0.03, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxo-3-propylpyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate is sourced from PubChem (CID 130396572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).