4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid

C14H15NO4 — CID 86174212

IUPAC4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15NO4/c16-12-8-9-13(17)15(12)11-6-4-10(5-7-11)2-1-3-14(18)19/h4-7H,1-3,8-9H2,(H,18,19)
InChIKeyQCMQCCKJHBWLLC-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.75
Rot. Bonds5

About 4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid

4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid (PubChem CID 86174212) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid
PubChem CID86174212
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15NO4/c16-12-8-9-13(17)15(12)11-6-4-10(5-7-11)2-1-3-14(18)19/h4-7H,1-3,8-9H2,(H,18,19)
InChIKeyQCMQCCKJHBWLLC-UHFFFAOYSA-N
XLogP1.75
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-carboxypropyl)-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid
CID 170585784
4-[4-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]butanoic acid
CID 168710489
5-[4-[2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl]phenyl]pentanoic acid
CID 56676513
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
4-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
CID 82514270
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
4-(4-iodophenyl)butanoic acid
CID 4645427
4-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]butanoic acid
CID 168715999
3-[4-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]propanoic acid
CID 103979379
3-[4-(1,3-dioxoisoindol-2-yl)phenyl]propanoic acid
CID 17341627
7-(4-iodophenyl)heptanoic acid
CID 177483295
3-[4-(2,4-dioxo-8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]propanoic acid
CID 102689477

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid?
The IUPAC name of 4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid (CID 86174212) is 4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid?
The canonical SMILES for 4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid is O=C(O)CCCc1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid?
The InChIKey is QCMQCCKJHBWLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-12-8-9-13(17)15(12)11-6-4-10(5-7-11)2-1-3-14(18)19/h4-7H,1-3,8-9H2,(H,18,19).
What are the key properties of 4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid?
4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid is sourced from PubChem (CID 86174212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).