(2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoate

C17H14N2O6 — CID 20700627

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoate
SMILESO=C(CCc1ccc(N2C(=O)C=CC2=O)cc1)ON1C(=O)CCC1=O
InChIInChI=1S/C17H14N2O6/c20-13-6-7-14(21)18(13)12-4-1-11(2-5-12)3-10-17(24)25-19-15(22)8-9-16(19)23/h1-2,4-7H,3,8-10H2
InChIKeyNLCZJZZFUDDNMF-UHFFFAOYSA-N
MW342.31 g/mol
LogP0.66
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoate (PubChem CID 20700627) has the molecular formula C17H14N2O6 and a molecular weight of 342.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoate
PubChem CID20700627
Molecular FormulaC17H14N2O6
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoate
SMILESO=C(CCc1ccc(N2C(=O)C=CC2=O)cc1)ON1C(=O)CCC1=O
InChIInChI=1S/C17H14N2O6/c20-13-6-7-14(21)18(13)12-4-1-11(2-5-12)3-10-17(24)25-19-15(22)8-9-16(19)23/h1-2,4-7H,3,8-10H2
InChIKeyNLCZJZZFUDDNMF-UHFFFAOYSA-N
XLogP0.66
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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) 3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoate (CID 20700627) is (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoate is O=C(CCc1ccc(N2C(=O)C=CC2=O)cc1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoate?
The InChIKey is NLCZJZZFUDDNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O6/c20-13-6-7-14(21)18(13)12-4-1-11(2-5-12)3-10-17(24)25-19-15(22)8-9-16(19)23/h1-2,4-7H,3,8-10H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoate has a molecular weight of 342.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoate is sourced from PubChem (CID 20700627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).