(2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate

C13H13N3O7 — CID 23166843

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate
SMILESO=C(CCN1C(=O)C=CC1=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H13N3O7/c17-8(5-6-15-9(18)1-2-10(15)19)14-7-13(22)23-16-11(20)3-4-12(16)21/h1-2H,3-7H2,(H,14,17)
InChIKeyDBOCLTMMARJTQL-UHFFFAOYSA-N
MW323.26 g/mol
LogP-1.98
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate (PubChem CID 23166843) has the molecular formula C13H13N3O7 and a molecular weight of 323.26 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate
PubChem CID23166843
Molecular FormulaC13H13N3O7
Molecular Weight323.26 g/mol
Exact Mass323.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate
SMILESO=C(CCN1C(=O)C=CC1=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H13N3O7/c17-8(5-6-15-9(18)1-2-10(15)19)14-7-13(22)23-16-11(20)3-4-12(16)21/h1-2H,3-7H2,(H,14,17)
InChIKeyDBOCLTMMARJTQL-UHFFFAOYSA-N
XLogP-1.98
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 5-1.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate (CID 23166843) is (2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate is O=C(CCN1C(=O)C=CC1=O)NCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate?
The InChIKey is DBOCLTMMARJTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O7/c17-8(5-6-15-9(18)1-2-10(15)19)14-7-13(22)23-16-11(20)3-4-12(16)21/h1-2H,3-7H2,(H,14,17).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate has a molecular weight of 323.26 g/mol, XLogP of -1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate is sourced from PubChem (CID 23166843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).