(2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxyphenyl)propanoate

C13H13NO5 — CID 22177499

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxyphenyl)propanoate
SMILESCC(C(=O)ON1C(=O)CCC1=O)c1ccc(O)cc1
InChIInChI=1S/C13H13NO5/c1-8(9-2-4-10(15)5-3-9)13(18)19-14-11(16)6-7-12(14)17/h2-5,8,15H,6-7H2,1H3
InChIKeyDEUWDFNDZHDKJG-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.10
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxyphenyl)propanoate

(2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxyphenyl)propanoate (PubChem CID 22177499) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxyphenyl)propanoate
PubChem CID22177499
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxyphenyl)propanoate
SMILESCC(C(=O)ON1C(=O)CCC1=O)c1ccc(O)cc1
InChIInChI=1S/C13H13NO5/c1-8(9-2-4-10(15)5-3-9)13(18)19-14-11(16)6-7-12(14)17/h2-5,8,15H,6-7H2,1H3
InChIKeyDEUWDFNDZHDKJG-UHFFFAOYSA-N
XLogP1.10
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxyphenyl)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxyphenyl)propanoate (CID 22177499) is (2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxyphenyl)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxyphenyl)propanoate is CC(C(=O)ON1C(=O)CCC1=O)c1ccc(O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxyphenyl)propanoate?
The InChIKey is DEUWDFNDZHDKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-8(9-2-4-10(15)5-3-9)13(18)19-14-11(16)6-7-12(14)17/h2-5,8,15H,6-7H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxyphenyl)propanoate?
(2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxyphenyl)propanoate has a molecular weight of 263.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 22177499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).