3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid

C13H14N2O4 — CID 43624651

IUPAC3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid
SMILESCc1ccc(N2C(=O)NC(CCC(=O)O)C2=O)cc1
InChIInChI=1S/C13H14N2O4/c1-8-2-4-9(5-3-8)15-12(18)10(14-13(15)19)6-7-11(16)17/h2-5,10H,6-7H2,1H3,(H,14,19)(H,16,17)
InChIKeyXMMPOHZFPMCHHX-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.28
Rot. Bonds4

About 3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid

3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid (PubChem CID 43624651) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid
PubChem CID43624651
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid
SMILESCc1ccc(N2C(=O)NC(CCC(=O)O)C2=O)cc1
InChIInChI=1S/C13H14N2O4/c1-8-2-4-9(5-3-8)15-12(18)10(14-13(15)19)6-7-11(16)17/h2-5,10H,6-7H2,1H3,(H,14,19)(H,16,17)
InChIKeyXMMPOHZFPMCHHX-UHFFFAOYSA-N
XLogP1.28
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.28
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

3-[1-(3,4-dimethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid
CID 4275804
methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate
CID 164674956
2-[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 3033218
2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid
CID 119350473
methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate
CID 91822490
3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 88659796
N-(2-amino-2-methylpropyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 119630707
(2S)-2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-4-methylpentanoic acid
CID 119362153
3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid
CID 6486729
methyl 2-[3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]propanoylamino]acetate
CID 126418668
3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 143823559
N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide
CID 110205196

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid (CID 43624651) is 3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid is Cc1ccc(N2C(=O)NC(CCC(=O)O)C2=O)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid?
The InChIKey is XMMPOHZFPMCHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-2-4-9(5-3-8)15-12(18)10(14-13(15)19)6-7-11(16)17/h2-5,10H,6-7H2,1H3,(H,14,19)(H,16,17).
What are the key properties of 3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid?
3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid has a molecular weight of 262.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid is sourced from PubChem (CID 43624651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).