bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate

C19H22N2O14 — CID 153431412

IUPACbis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate
SMILESO=C(CC(=O)OCCOCC(=O)ON1C(=O)CCC1=O)OCCOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H22N2O14/c22-12-1-2-13(23)20(12)34-18(28)10-30-5-7-32-16(26)9-17(27)33-8-6-31-11-19(29)35-21-14(24)3-4-15(21)25/h1-11H2
InChIKeyURAYUQRNVIGDBR-UHFFFAOYSA-N
MW502.39 g/mol
LogP-2.29
Rot. Bonds14

About bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate

bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate (PubChem CID 153431412) has the molecular formula C19H22N2O14 and a molecular weight of 502.39 g/mol. Its IUPAC name is bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate.

Molecular Properties

Compound Namebis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate
PubChem CID153431412
Molecular FormulaC19H22N2O14
Molecular Weight502.39 g/mol
Exact Mass502.11
IUPAC Namebis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate
SMILESO=C(CC(=O)OCCOCC(=O)ON1C(=O)CCC1=O)OCCOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H22N2O14/c22-12-1-2-13(23)20(12)34-18(28)10-30-5-7-32-16(26)9-17(27)33-8-6-31-11-19(29)35-21-14(24)3-4-15(21)25/h1-11H2
InChIKeyURAYUQRNVIGDBR-UHFFFAOYSA-N
XLogP-2.29
TPSA198.42 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.39
LogP ≤ 5-2.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate
CID 162642529
(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) 2-[2-[2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetyl]amino]ethylamino]-2-oxoethoxy]acetate
CID 11092123
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[2-[2-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]oxyethoxy]ethoxy]ethyl] pentanedioate
CID 162161895
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate
CID 131709290
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 59616514
1-O-[2-[5-[4-[4,5-bis[2-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethoxy]ethoxy]-2,3-bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]pentoxy]butoxy]-2,3,4-tris[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropanoyl]oxyethoxy]pentoxy]ethyl] 3-O-(2,5-dioxopyrrolidin-1-yl) propanedioate
CID 123831209
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate
CID 121235813
(2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]but-2-ynoxy]acetate
CID 102332025
(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

Frequently Asked Questions

What is the IUPAC name of bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate?
The IUPAC name of bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate (CID 153431412) is bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate.
What is the SMILES notation for bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate?
The canonical SMILES for bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate is O=C(CC(=O)OCCOCC(=O)ON1C(=O)CCC1=O)OCCOCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate?
The InChIKey is URAYUQRNVIGDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O14/c22-12-1-2-13(23)20(12)34-18(28)10-30-5-7-32-16(26)9-17(27)33-8-6-31-11-19(29)35-21-14(24)3-4-15(21)25/h1-11H2.
What are the key properties of bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate?
bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate has a molecular weight of 502.39 g/mol, XLogP of -2.29, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate is sourced from PubChem (CID 153431412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).