(2,5-dioxopyrrolidin-1-yl) propanoate

C14H18N2O8 — CID 171533530

IUPAC(2,5-dioxopyrrolidin-1-yl) propanoate
SMILESCCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/2C7H9NO4/c2*1-2-7(11)12-8-5(9)3-4-6(8)10/h2*2-4H2,1H3
InChIKeyYXOFLWRZANAVTM-UHFFFAOYSA-N
MW342.30 g/mol
LogP0.01
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) propanoate

(2,5-dioxopyrrolidin-1-yl) propanoate (PubChem CID 171533530) has the molecular formula C14H18N2O8 and a molecular weight of 342.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) propanoate
PubChem CID171533530
Molecular FormulaC14H18N2O8
Molecular Weight342.30 g/mol
Exact Mass342.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) propanoate
SMILESCCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/2C7H9NO4/c2*1-2-7(11)12-8-5(9)3-4-6(8)10/h2*2-4H2,1H3
InChIKeyYXOFLWRZANAVTM-UHFFFAOYSA-N
XLogP0.01
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
(2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine
CID 145317347
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane
CID 144633595
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 89197439
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide
CID 71752826
(2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate
CID 159218851
(2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate
CID 91622341
(2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane
CID 158347666
(2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate
CID 141124175

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) propanoate (CID 171533530) is (2,5-dioxopyrrolidin-1-yl) propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) propanoate is CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) propanoate?
The InChIKey is YXOFLWRZANAVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9NO4/c2*1-2-7(11)12-8-5(9)3-4-6(8)10/h2*2-4H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) propanoate?
(2,5-dioxopyrrolidin-1-yl) propanoate has a molecular weight of 342.30 g/mol, XLogP of 0.01, 4 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) propanoate is sourced from PubChem (CID 171533530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).