(2,5-dioxopyrrolidin-1-yl) 2-(2-hydroxyethoxy)acetate

C8H11NO6 — CID 58312478

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(2-hydroxyethoxy)acetate
SMILESO=C(COCCO)ON1C(=O)CCC1=O
InChIInChI=1S/C8H11NO6/c10-3-4-14-5-8(13)15-9-6(11)1-2-7(9)12/h10H,1-5H2
InChIKeyZQFNBHVVRRYZBZ-UHFFFAOYSA-N
MW217.18 g/mol
LogP-1.40
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 2-(2-hydroxyethoxy)acetate

(2,5-dioxopyrrolidin-1-yl) 2-(2-hydroxyethoxy)acetate (PubChem CID 58312478) has the molecular formula C8H11NO6 and a molecular weight of 217.18 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(2-hydroxyethoxy)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(2-hydroxyethoxy)acetate
PubChem CID58312478
Molecular FormulaC8H11NO6
Molecular Weight217.18 g/mol
Exact Mass217.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(2-hydroxyethoxy)acetate
SMILESO=C(COCCO)ON1C(=O)CCC1=O
InChIInChI=1S/C8H11NO6/c10-3-4-14-5-8(13)15-9-6(11)1-2-7(9)12/h10H,1-5H2
InChIKeyZQFNBHVVRRYZBZ-UHFFFAOYSA-N
XLogP-1.40
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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) 2-(2-hydroxyethoxy)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2-hydroxyethoxy)acetate (CID 58312478) is (2,5-dioxopyrrolidin-1-yl) 2-(2-hydroxyethoxy)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(2-hydroxyethoxy)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(2-hydroxyethoxy)acetate is O=C(COCCO)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(2-hydroxyethoxy)acetate?
The InChIKey is ZQFNBHVVRRYZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO6/c10-3-4-14-5-8(13)15-9-6(11)1-2-7(9)12/h10H,1-5H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(2-hydroxyethoxy)acetate?
(2,5-dioxopyrrolidin-1-yl) 2-(2-hydroxyethoxy)acetate has a molecular weight of 217.18 g/mol, XLogP of -1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(2-hydroxyethoxy)acetate is sourced from PubChem (CID 58312478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).