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

C15H18N2O8 — CID 59129882

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate
SMILESO=C(CCOCCOCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H18N2O8/c18-11-1-2-12(19)16(11)6-8-24-10-9-23-7-5-15(22)25-17-13(20)3-4-14(17)21/h1-2H,3-10H2
InChIKeyKMEJZQCDHANYJV-UHFFFAOYSA-N
MW354.32 g/mol
LogP-1.06
Rot. Bonds10

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

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate (PubChem CID 59129882) has the molecular formula C15H18N2O8 and a molecular weight of 354.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate
PubChem CID59129882
Molecular FormulaC15H18N2O8
Molecular Weight354.32 g/mol
Exact Mass354.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate
SMILESO=C(CCOCCOCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H18N2O8/c18-11-1-2-12(19)16(11)6-8-24-10-9-23-7-5-15(22)25-17-13(20)3-4-14(17)21/h1-2H,3-10H2
InChIKeyKMEJZQCDHANYJV-UHFFFAOYSA-N
XLogP-1.06
TPSA119.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate (CID 59129882) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate is O=C(CCOCCOCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate?
The InChIKey is KMEJZQCDHANYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O8/c18-11-1-2-12(19)16(11)6-8-24-10-9-23-7-5-15(22)25-17-13(20)3-4-14(17)21/h1-2H,3-10H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate has a molecular weight of 354.32 g/mol, XLogP of -1.06, 10 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-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate is sourced from PubChem (CID 59129882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).