(2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate

C15H24N2O6 — CID 88864820

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate
SMILESCC(C)CCCCNC(=O)COCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H24N2O6/c1-11(2)5-3-4-8-16-12(18)9-22-10-15(21)23-17-13(19)6-7-14(17)20/h11H,3-10H2,1-2H3,(H,16,18)
InChIKeyRGTKUVBYZPMUOW-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.55
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate (PubChem CID 88864820) has the molecular formula C15H24N2O6 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate
PubChem CID88864820
Molecular FormulaC15H24N2O6
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate
SMILESCC(C)CCCCNC(=O)COCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H24N2O6/c1-11(2)5-3-4-8-16-12(18)9-22-10-15(21)23-17-13(19)6-7-14(17)20/h11H,3-10H2,1-2H3,(H,16,18)
InChIKeyRGTKUVBYZPMUOW-UHFFFAOYSA-N
XLogP0.55
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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
N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate
CID 162199414
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]-2-oxoethoxy]ethoxy]acetate
CID 59709155
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 59616514
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 157314738
2-ethoxy-N-(5-methylhexyl)acetamide
CID 21019006
(2S)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propanoylamino)pentanoic acid
CID 88903522
16-[[1-carboxy-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-16-oxohexadecanoic acid
CID 76780539
16-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-16-oxohexadecanoic acid
CID 58419209
(2-hydroxy-5-oxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate
CID 129183103
18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid;18-[[(1S)-1-carboxy-4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]-18-oxooctadecanoic acid
CID 167646043
(2,5-dioxopyrrolidin-1-yl) 3-[[6-acetamido-2-((113C)methyl(15N)amino)(613C)hexanoyl]amino]propanoate
CID 135251395

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate (CID 88864820) is (2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate is CC(C)CCCCNC(=O)COCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate?
The InChIKey is RGTKUVBYZPMUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6/c1-11(2)5-3-4-8-16-12(18)9-22-10-15(21)23-17-13(19)6-7-14(17)20/h11H,3-10H2,1-2H3,(H,16,18).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate has a molecular weight of 328.37 g/mol, XLogP of 0.55, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate is sourced from PubChem (CID 88864820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).