(2-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate

C12H14N2O5 — CID 123673563

IUPAC(2-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
SMILESO=C(CCCN1C(=O)C=CC1=O)ON1CCCC1=O
InChIInChI=1S/C12H14N2O5/c15-9-5-6-10(16)13(9)7-2-4-12(18)19-14-8-1-3-11(14)17/h5-6H,1-4,7-8H2
InChIKeyWECILFWXRWQTPO-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.23
Rot. Bonds5

About (2-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate

(2-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate (PubChem CID 123673563) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate.

Molecular Properties

Compound Name(2-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
PubChem CID123673563
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name(2-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
SMILESO=C(CCCN1C(=O)C=CC1=O)ON1CCCC1=O
InChIInChI=1S/C12H14N2O5/c15-9-5-6-10(16)13(9)7-2-4-12(18)19-14-8-1-3-11(14)17/h5-6H,1-4,7-8H2
InChIKeyWECILFWXRWQTPO-UHFFFAOYSA-N
XLogP-0.23
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
Maleimidoacetic acid N-hydroxysuccinimide ester
CID 3299229
Sodium 4-maleimidobutyrate
CID 121347902
(2,5-Dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)-4,4,4-trifluorobutanoate
CID 155717922
2,5-dioxopyrrolidin-1-yl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentanoate
CID 10040074
(2,5-Dioxopyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 11821930
(2,5-Dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)butanoate
CID 19597164
(2,5-Dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)butanoate
CID 20082949
Thionitroso 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 21351005
1-[4-(2,5-Dioxopyrrolidin-1-yl)oxybutyl]pyrrole-2,5-dione
CID 21660856

Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate?
The IUPAC name of (2-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate (CID 123673563) is (2-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate.
What is the SMILES notation for (2-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate?
The canonical SMILES for (2-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate is O=C(CCCN1C(=O)C=CC1=O)ON1CCCC1=O.
What is the InChIKey of (2-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate?
The InChIKey is WECILFWXRWQTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c15-9-5-6-10(16)13(9)7-2-4-12(18)19-14-8-1-3-11(14)17/h5-6H,1-4,7-8H2.
What are the key properties of (2-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate?
(2-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate has a molecular weight of 266.25 g/mol, XLogP of -0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate is sourced from PubChem (CID 123673563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).