(2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate

C15H25NO8 — CID 59859142

IUPAC(2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate
SMILESCOCCCOC(CC(=O)ON1C(=O)CCC1=O)OCCCOC
InChIInChI=1S/C15H25NO8/c1-20-7-3-9-22-15(23-10-4-8-21-2)11-14(19)24-16-12(17)5-6-13(16)18/h15H,3-11H2,1-2H3
InChIKeyKVXMZSPRWLEUMU-UHFFFAOYSA-N
MW347.36 g/mol
LogP0.42
Rot. Bonds13

About (2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate

(2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate (PubChem CID 59859142) has the molecular formula C15H25NO8 and a molecular weight of 347.36 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate
PubChem CID59859142
Molecular FormulaC15H25NO8
Molecular Weight347.36 g/mol
Exact Mass347.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate
SMILESCOCCCOC(CC(=O)ON1C(=O)CCC1=O)OCCCOC
InChIInChI=1S/C15H25NO8/c1-20-7-3-9-22-15(23-10-4-8-21-2)11-14(19)24-16-12(17)5-6-13(16)18/h15H,3-11H2,1-2H3
InChIKeyKVXMZSPRWLEUMU-UHFFFAOYSA-N
XLogP0.42
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451
(2,5-dioxopyrrolidin-1-yl) 2-[bis(3-methoxypropoxy)amino]acetate
CID 59760899
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 71356458
(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
CID 172913564
CID 172913564
(2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate
CID 175750111
1-(3-methoxypropoxy)pyrrolidine-2,5-dione
CID 59274176
(2,5-dioxopyrrolidin-1-yl) 5-[2-(4-methoxybutanoyloxy)ethoxy]-5-[2-(2-methoxyethylcarbamoyloxy)ethoxy]pentanoate
CID 160870798
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
(2,5-dioxopyrrolidin-1-yl) 4-oxo-3-sulfanylpentanoate
CID 87561676

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate (CID 59859142) is (2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate is COCCCOC(CC(=O)ON1C(=O)CCC1=O)OCCCOC.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate?
The InChIKey is KVXMZSPRWLEUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO8/c1-20-7-3-9-22-15(23-10-4-8-21-2)11-14(19)24-16-12(17)5-6-13(16)18/h15H,3-11H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate?
(2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate has a molecular weight of 347.36 g/mol, XLogP of 0.42, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate is sourced from PubChem (CID 59859142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).