(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate

C13H12N2O9 — CID 78323014

IUPAC(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESO=C(CCN1C(=O)C=CC1=O)OCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H12N2O9/c16-8-1-2-9(17)14(8)6-5-12(20)22-7-23-13(21)24-15-10(18)3-4-11(15)19/h1-2H,3-7H2
InChIKeyKFIJOBYNEIMIPD-UHFFFAOYSA-N
MW340.24 g/mol
LogP-0.98
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate

(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate (PubChem CID 78323014) has the molecular formula C13H12N2O9 and a molecular weight of 340.24 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate
PubChem CID78323014
Molecular FormulaC13H12N2O9
Molecular Weight340.24 g/mol
Exact Mass340.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESO=C(CCN1C(=O)C=CC1=O)OCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H12N2O9/c16-8-1-2-9(17)14(8)6-5-12(20)22-7-23-13(21)24-15-10(18)3-4-11(15)19/h1-2H,3-7H2
InChIKeyKFIJOBYNEIMIPD-UHFFFAOYSA-N
XLogP-0.98
TPSA136.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate (CID 78323014) is (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate is O=C(CCN1C(=O)C=CC1=O)OCOC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate?
The InChIKey is KFIJOBYNEIMIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O9/c16-8-1-2-9(17)14(8)6-5-12(20)22-7-23-13(21)24-15-10(18)3-4-11(15)19/h1-2H,3-7H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate?
(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate has a molecular weight of 340.24 g/mol, XLogP of -0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate is sourced from PubChem (CID 78323014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).