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

C9H13NO6 — CID 20596397

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(2-methoxyethoxy)acetate
SMILESCOCCOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H13NO6/c1-14-4-5-15-6-9(13)16-10-7(11)2-3-8(10)12/h2-6H2,1H3
InChIKeySTWRLXINMYHWNT-UHFFFAOYSA-N
MW231.20 g/mol
LogP-0.74
Rot. Bonds6

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

(2,5-dioxopyrrolidin-1-yl) 2-(2-methoxyethoxy)acetate (PubChem CID 20596397) has the molecular formula C9H13NO6 and a molecular weight of 231.20 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(2-methoxyethoxy)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(2-methoxyethoxy)acetate
PubChem CID20596397
Molecular FormulaC9H13NO6
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(2-methoxyethoxy)acetate
SMILESCOCCOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H13NO6/c1-14-4-5-15-6-9(13)16-10-7(11)2-3-8(10)12/h2-6H2,1H3
InChIKeySTWRLXINMYHWNT-UHFFFAOYSA-N
XLogP-0.74
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
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-methoxyethoxy)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2-methoxyethoxy)acetate (CID 20596397) is (2,5-dioxopyrrolidin-1-yl) 2-(2-methoxyethoxy)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(2-methoxyethoxy)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(2-methoxyethoxy)acetate is COCCOCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(2-methoxyethoxy)acetate?
The InChIKey is STWRLXINMYHWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO6/c1-14-4-5-15-6-9(13)16-10-7(11)2-3-8(10)12/h2-6H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(2-methoxyethoxy)acetate?
(2,5-dioxopyrrolidin-1-yl) 2-(2-methoxyethoxy)acetate has a molecular weight of 231.20 g/mol, XLogP of -0.74, 6 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) 2-(2-methoxyethoxy)acetate is sourced from PubChem (CID 20596397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).