3-(1-Benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid

C13H14N2O4 — CID 45598718

IUPAC3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid
SMILESC1=CC=C(C=C1)CN2C(=O)C(NC2=O)CCC(=O)O
InChIInChI=1S/C13H14N2O4/c16-11(17)7-6-10-12(18)15(13(19)14-10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,16,17)
InChIKeyZHVHYSXUNVLQON-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.50
Rot. Bonds5

About 3-(1-Benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid

3-(1-Benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid (PubChem CID 45598718) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-Benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid
PubChem CID45598718
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid
SMILESC1=CC=C(C=C1)CN2C(=O)C(NC2=O)CCC(=O)O
InChIInChI=1S/C13H14N2O4/c16-11(17)7-6-10-12(18)15(13(19)14-10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,16,17)
InChIKeyZHVHYSXUNVLQON-UHFFFAOYSA-N
XLogP0.50
TPSA86.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity377

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1-Benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-Benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid?
The IUPAC name of 3-(1-Benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid (CID 45598718) is 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-Benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid?
The canonical SMILES for 3-(1-Benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid is C1=CC=C(C=C1)CN2C(=O)C(NC2=O)CCC(=O)O.
What is the InChIKey of 3-(1-Benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid?
The InChIKey is ZHVHYSXUNVLQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-11(17)7-6-10-12(18)15(13(19)14-10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,16,17).
What are the key properties of 3-(1-Benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid?
3-(1-Benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid has a molecular weight of 262.26 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-Benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid is sourced from PubChem (CID 45598718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).