(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate

C17H28N2O7 — CID 177151692

IUPAC(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate
SMILESCCCCC(=O)NCCOOCCC(C)(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H28N2O7/c1-4-5-6-13(20)18-10-12-25-24-11-9-17(2,3)16(23)26-19-14(21)7-8-15(19)22/h4-12H2,1-3H3,(H,18,20)
InChIKeyHAXSVMGQNVJYRN-UHFFFAOYSA-N
MW372.42 g/mol
LogP1.26
Rot. Bonds12

About (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate

(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate (PubChem CID 177151692) has the molecular formula C17H28N2O7 and a molecular weight of 372.42 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate
PubChem CID177151692
Molecular FormulaC17H28N2O7
Molecular Weight372.42 g/mol
Exact Mass372.19
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate
SMILESCCCCC(=O)NCCOOCCC(C)(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H28N2O7/c1-4-5-6-13(20)18-10-12-25-24-11-9-17(2,3)16(23)26-19-14(21)7-8-15(19)22/h4-12H2,1-3H3,(H,18,20)
InChIKeyHAXSVMGQNVJYRN-UHFFFAOYSA-N
XLogP1.26
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3aR)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate
CID 177151691
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylhexanoate
CID 134576769
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate
CID 129142210
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-methyl-4-[4-[methyl-[(Z)-4-oxobut-2-enoyl]amino]butanoylamino]butan-2-yl]oxybutanoate
CID 143320996
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 129271799
(2,5-dioxopyrrolidin-1-yl) 2-methyl-2-undecyltridecanoate
CID 141487182
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-methyl-4-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propanoylamino]butan-2-yl]oxybutanoate
CID 134221525
(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate
CID 51340978
(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) 3-[2-[2-[2-[8-[3-[2,2-bis[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]propanoylamino]octanoylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 118440540
(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate
CID 121327288
(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[[1,3-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate
CID 51340976

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate (CID 177151692) is (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate is CCCCC(=O)NCCOOCCC(C)(C)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate?
The InChIKey is HAXSVMGQNVJYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O7/c1-4-5-6-13(20)18-10-12-25-24-11-9-17(2,3)16(23)26-19-14(21)7-8-15(19)22/h4-12H2,1-3H3,(H,18,20).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate?
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate has a molecular weight of 372.42 g/mol, XLogP of 1.26, 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) 2,2-dimethyl-4-[2-(pentanoylamino)ethylperoxy]butanoate is sourced from PubChem (CID 177151692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).