(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate

C13H14N2O6 — CID 10040074

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate
SMILESO=C(CCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H14N2O6/c16-9-4-5-10(17)14(9)8-2-1-3-13(20)21-15-11(18)6-7-12(15)19/h4-5H,1-3,6-8H2
InChIKeyULZJAHZPCLFGHQ-UHFFFAOYSA-N
MW294.26 g/mol
LogP-0.31
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate

(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate (PubChem CID 10040074) has the molecular formula C13H14N2O6 and a molecular weight of 294.26 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate
PubChem CID10040074
Molecular FormulaC13H14N2O6
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate
SMILESO=C(CCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H14N2O6/c16-9-4-5-10(17)14(9)8-2-1-3-13(20)21-15-11(18)6-7-12(15)19/h4-5H,1-3,6-8H2
InChIKeyULZJAHZPCLFGHQ-UHFFFAOYSA-N
XLogP-0.31
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
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 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoate
CID 4620597
N-(gamma-Maleimidobutyryloxy)succinimide
CID 133440
N-(6-Maleimidocaproyloxy)succinimide
CID 5091655
(2,5-Dioxopyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 9796541
(2,5-Dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexaneperoxoate
CID 9949147
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-(2,5-dioxopyrrol-1-yl)-4-oxohexanoate
CID 57704141
6-(2,5-Dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 67280080
(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate
CID 78323016
5-(2,5-Dioxopyrrol-1-yl)pentanoate
CID 86309590
(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 87148374
(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 87930817

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate (CID 10040074) is (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate is O=C(CCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The InChIKey is ULZJAHZPCLFGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O6/c16-9-4-5-10(17)14(9)8-2-1-3-13(20)21-15-11(18)6-7-12(15)19/h4-5H,1-3,6-8H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate?
(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate has a molecular weight of 294.26 g/mol, XLogP of -0.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate is sourced from PubChem (CID 10040074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).