(2,5-dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate

C19H23N3O11 — CID 58332906

IUPAC(2,5-dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate
SMILESO=C(CCC(=O)ON1C(=O)C=CC1=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H23N3O11/c23-13(1-6-18(28)32-21-14(24)2-3-15(21)25)20-8-10-31-12-11-30-9-7-19(29)33-22-16(26)4-5-17(22)27/h2-3H,1,4-12H2,(H,20,23)
InChIKeyDVFDLXZHKOZVBP-UHFFFAOYSA-N
MW469.40 g/mol
LogP-1.70
Rot. Bonds14

About (2,5-dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate

(2,5-dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate (PubChem CID 58332906) has the molecular formula C19H23N3O11 and a molecular weight of 469.40 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate
PubChem CID58332906
Molecular FormulaC19H23N3O11
Molecular Weight469.40 g/mol
Exact Mass469.13
IUPAC Name(2,5-dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate
SMILESO=C(CCC(=O)ON1C(=O)C=CC1=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H23N3O11/c23-13(1-6-18(28)32-21-14(24)2-3-15(21)25)20-8-10-31-12-11-30-9-7-19(29)33-22-16(26)4-5-17(22)27/h2-3H,1,4-12H2,(H,20,23)
InChIKeyDVFDLXZHKOZVBP-UHFFFAOYSA-N
XLogP-1.70
TPSA174.92 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.40
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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-dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate?
The IUPAC name of (2,5-dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate (CID 58332906) is (2,5-dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate?
The canonical SMILES for (2,5-dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate is O=C(CCC(=O)ON1C(=O)C=CC1=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate?
The InChIKey is DVFDLXZHKOZVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O11/c23-13(1-6-18(28)32-21-14(24)2-3-15(21)25)20-8-10-31-12-11-30-9-7-19(29)33-22-16(26)4-5-17(22)27/h2-3H,1,4-12H2,(H,20,23).
What are the key properties of (2,5-dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate?
(2,5-dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate has a molecular weight of 469.40 g/mol, XLogP of -1.70, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl) 4-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutanoate is sourced from PubChem (CID 58332906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).