(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate

C15H22N2O7 — CID 75534885

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate
SMILESC=CC(=O)NCCOCCOCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H22N2O7/c1-2-12(18)16-7-9-23-11-10-22-8-3-4-15(21)24-17-13(19)5-6-14(17)20/h2H,1,3-11H2,(H,16,18)
InChIKeySWAJOBDKZSXFNJ-UHFFFAOYSA-N
MW342.35 g/mol
LogP-0.29
Rot. Bonds12

About (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate

(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate (PubChem CID 75534885) has the molecular formula C15H22N2O7 and a molecular weight of 342.35 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate
PubChem CID75534885
Molecular FormulaC15H22N2O7
Molecular Weight342.35 g/mol
Exact Mass342.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate
SMILESC=CC(=O)NCCOCCOCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H22N2O7/c1-2-12(18)16-7-9-23-11-10-22-8-3-4-15(21)24-17-13(19)5-6-14(17)20/h2H,1,3-11H2,(H,16,18)
InChIKeySWAJOBDKZSXFNJ-UHFFFAOYSA-N
XLogP-0.29
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 6-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexanoate
CID 87561673
(2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate
CID 139256325
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078534
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 90179191
(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-(4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 157314738
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(8-formamidooctanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 135199706
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) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 129271799
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate
CID 90143112
(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
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate
CID 157459945

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate (CID 75534885) is (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate is C=CC(=O)NCCOCCOCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate?
The InChIKey is SWAJOBDKZSXFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O7/c1-2-12(18)16-7-9-23-11-10-22-8-3-4-15(21)24-17-13(19)5-6-14(17)20/h2H,1,3-11H2,(H,16,18).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate has a molecular weight of 342.35 g/mol, XLogP of -0.29, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate is sourced from PubChem (CID 75534885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).