3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid

C12H12N2O4 — CID 114007858

IUPAC3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1N1C(=O)CNC1=O
InChIInChI=1S/C12H12N2O4/c15-10-7-13-12(18)14(10)9-4-2-1-3-8(9)5-6-11(16)17/h1-4H,5-7H2,(H,13,18)(H,16,17)
InChIKeyPBCPAKRKHJBKQB-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.76
Rot. Bonds4

About 3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid

3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid (PubChem CID 114007858) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid
PubChem CID114007858
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1N1C(=O)CNC1=O
InChIInChI=1S/C12H12N2O4/c15-10-7-13-12(18)14(10)9-4-2-1-3-8(9)5-6-11(16)17/h1-4H,5-7H2,(H,13,18)(H,16,17)
InChIKeyPBCPAKRKHJBKQB-UHFFFAOYSA-N
XLogP0.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid
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4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid?
The IUPAC name of 3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid (CID 114007858) is 3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid is O=C(O)CCc1ccccc1N1C(=O)CNC1=O.
What is the InChIKey of 3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid?
The InChIKey is PBCPAKRKHJBKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-10-7-13-12(18)14(10)9-4-2-1-3-8(9)5-6-11(16)17/h1-4H,5-7H2,(H,13,18)(H,16,17).
What are the key properties of 3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid?
3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid has a molecular weight of 248.24 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 114007858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).