(2,5-dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate

C20H27N3O7 — CID 87617279

IUPAC(2,5-dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate
SMILESO=C(CCCN1C(=O)C=CC1=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H27N3O7/c24-15(7-6-14-22-16(25)9-10-17(22)26)21-13-5-3-1-2-4-8-20(29)30-23-18(27)11-12-19(23)28/h9-10H,1-8,11-14H2,(H,21,24)
InChIKeyYKQCTBAAOLHMGF-UHFFFAOYSA-N
MW421.45 g/mol
LogP0.76
Rot. Bonds13

About (2,5-dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate

(2,5-dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate (PubChem CID 87617279) has the molecular formula C20H27N3O7 and a molecular weight of 421.45 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate
PubChem CID87617279
Molecular FormulaC20H27N3O7
Molecular Weight421.45 g/mol
Exact Mass421.18
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate
SMILESO=C(CCCN1C(=O)C=CC1=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H27N3O7/c24-15(7-6-14-22-16(25)9-10-17(22)26)21-13-5-3-1-2-4-8-20(29)30-23-18(27)11-12-19(23)28/h9-10H,1-8,11-14H2,(H,21,24)
InChIKeyYKQCTBAAOLHMGF-UHFFFAOYSA-N
XLogP0.76
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate with MolForge

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Related Compounds

N-Succinimidyl 6-(3-Maleimidopropionamido) Hexanoate
CID 4170355
N-(6-Maleimidocaproyloxy)succinimide
CID 5091655
11-(Maleimido)undecanoic acid N-succinimidyl ester
CID 5091658
N-Succinimidyl 6-[[4-(N-Maleimidomethyl)cyclohexyl]carboxamido]hexanoate
CID 3564731
N-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)prop-2-enamide
CID 2762590
2,5-dioxopyrrolidin-1-yl 8-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)octanoate
CID 5091657
(2,5-Dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexaneperoxoate
CID 9949147
(2,5-Dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate
CID 9976006
(2,5-Dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate
CID 13421309
(2,5-Dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate
CID 20779687
2,5-Dioxopyrrolidin-1-yl 7-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)heptanoate
CID 21646446
(2,5-Dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
CID 23082419

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate (CID 87617279) is (2,5-dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate is O=C(CCCN1C(=O)C=CC1=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate?
The InChIKey is YKQCTBAAOLHMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O7/c24-15(7-6-14-22-16(25)9-10-17(22)26)21-13-5-3-1-2-4-8-20(29)30-23-18(27)11-12-19(23)28/h9-10H,1-8,11-14H2,(H,21,24).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate?
(2,5-dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate has a molecular weight of 421.45 g/mol, XLogP of 0.76, 13 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) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate is sourced from PubChem (CID 87617279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).