(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate

C15H21NO8 — CID 131709290

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate
SMILESC#CCOCCOCCOCCOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H21NO8/c1-2-5-20-6-7-21-8-9-22-10-11-23-12-15(19)24-16-13(17)3-4-14(16)18/h1H,3-12H2
InChIKeyGYEPTYINFCZLBX-UHFFFAOYSA-N
MW343.33 g/mol
LogP-0.71
Rot. Bonds13

About (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate (PubChem CID 131709290) has the molecular formula C15H21NO8 and a molecular weight of 343.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate
PubChem CID131709290
Molecular FormulaC15H21NO8
Molecular Weight343.33 g/mol
Exact Mass343.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate
SMILESC#CCOCCOCCOCCOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H21NO8/c1-2-5-20-6-7-21-8-9-22-10-11-23-12-15(19)24-16-13(17)3-4-14(16)18/h1H,3-12H2
InChIKeyGYEPTYINFCZLBX-UHFFFAOYSA-N
XLogP-0.71
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 5-0.71
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 57369360
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 71356458
(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]propanoate
CID 138737740
(2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]but-2-ynoxy]acetate
CID 102332025
bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate
CID 153431412
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate
CID 162642529
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate
CID 121235813
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 154803611
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;methane
CID 161065526
CID 166022973
CID 166022973
CID 172913564
CID 172913564

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate (CID 131709290) is (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate is C#CCOCCOCCOCCOCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate?
The InChIKey is GYEPTYINFCZLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO8/c1-2-5-20-6-7-21-8-9-22-10-11-23-12-15(19)24-16-13(17)3-4-14(16)18/h1H,3-12H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate has a molecular weight of 343.33 g/mol, XLogP of -0.71, 13 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) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate is sourced from PubChem (CID 131709290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).