(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate

C24H33N5O10 — CID 162523429

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate
SMILESCC1NC(=O)NC1CCCCCC(=O)N(CCC(=O)ON1C(=O)CCC1=O)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H33N5O10/c1-15-16(26-24(37)25-15)5-3-2-4-6-17(30)27(13-11-22(35)38-28-18(31)7-8-19(28)32)14-12-23(36)39-29-20(33)9-10-21(29)34/h15-16H,2-14H2,1H3,(H2,25,26,37)
InChIKeySORFYNBCMKLTBQ-UHFFFAOYSA-N
MW551.55 g/mol
LogP-0.17
Rot. Bonds14

About (2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate (PubChem CID 162523429) has the molecular formula C24H33N5O10 and a molecular weight of 551.55 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate
PubChem CID162523429
Molecular FormulaC24H33N5O10
Molecular Weight551.55 g/mol
Exact Mass551.22
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate
SMILESCC1NC(=O)NC1CCCCCC(=O)N(CCC(=O)ON1C(=O)CCC1=O)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H33N5O10/c1-15-16(26-24(37)25-15)5-3-2-4-6-17(30)27(13-11-22(35)38-28-18(31)7-8-19(28)32)14-12-23(36)39-29-20(33)9-10-21(29)34/h15-16H,2-14H2,1H3,(H2,25,26,37)
InChIKeySORFYNBCMKLTBQ-UHFFFAOYSA-N
XLogP-0.17
TPSA188.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.55
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate with MolForge

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 6-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]hexanoate
CID 101206729
1-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
CID 175647858
(2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate
CID 102377713
4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
CID 155283579
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[6-[(4R,5S)-5-methyl-2-sulfanylideneimidazolidin-4-yl]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 87428859
6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
CID 25244917
5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid
CID 2054868
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
CID 178100536
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate (CID 162523429) is (2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate is CC1NC(=O)NC1CCCCCC(=O)N(CCC(=O)ON1C(=O)CCC1=O)CCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate?
The InChIKey is SORFYNBCMKLTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O10/c1-15-16(26-24(37)25-15)5-3-2-4-6-17(30)27(13-11-22(35)38-28-18(31)7-8-19(28)32)14-12-23(36)39-29-20(33)9-10-21(29)34/h15-16H,2-14H2,1H3,(H2,25,26,37).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate has a molecular weight of 551.55 g/mol, XLogP of -0.17, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyl]amino]propanoate is sourced from PubChem (CID 162523429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).