4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid

C20H24N4O8 — CID 70477882

IUPAC4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid
SMILESCN1CC(=O)N(CCCC(=O)O)C1=O.CN1CC(=O)N(Cc2ccc(C(=O)O)cc2)C1=O
InChIInChI=1S/C12H12N2O4.C8H12N2O4/c1-13-7-10(15)14(12(13)18)6-8-2-4-9(5-3-8)11(16)17;1-9-5-6(11)10(8(9)14)4-2-3-7(12)13/h2-5H,6-7H2,1H3,(H,16,17);2-5H2,1H3,(H,12,13)
InChIKeyQXVMACFTZCFNBH-UHFFFAOYSA-N
MW448.43 g/mol
LogP0.52
Rot. Bonds7

About 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid

4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid (PubChem CID 70477882) has the molecular formula C20H24N4O8 and a molecular weight of 448.43 g/mol. Its IUPAC name is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid
PubChem CID70477882
Molecular FormulaC20H24N4O8
Molecular Weight448.43 g/mol
Exact Mass448.16
IUPAC Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid
SMILESCN1CC(=O)N(CCCC(=O)O)C1=O.CN1CC(=O)N(Cc2ccc(C(=O)O)cc2)C1=O
InChIInChI=1S/C12H12N2O4.C8H12N2O4/c1-13-7-10(15)14(12(13)18)6-8-2-4-9(5-3-8)11(16)17;1-9-5-6(11)10(8(9)14)4-2-3-7(12)13/h2-5H,6-7H2,1H3,(H,16,17);2-5H2,1H3,(H,12,13)
InChIKeyQXVMACFTZCFNBH-UHFFFAOYSA-N
XLogP0.52
TPSA155.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic 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 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid?
The IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid (CID 70477882) is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid.
What is the SMILES notation for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid?
The canonical SMILES for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid is CN1CC(=O)N(CCCC(=O)O)C1=O.CN1CC(=O)N(Cc2ccc(C(=O)O)cc2)C1=O.
What is the InChIKey of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid?
The InChIKey is QXVMACFTZCFNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4.C8H12N2O4/c1-13-7-10(15)14(12(13)18)6-8-2-4-9(5-3-8)11(16)17;1-9-5-6(11)10(8(9)14)4-2-3-7(12)13/h2-5H,6-7H2,1H3,(H,16,17);2-5H2,1H3,(H,12,13).
What are the key properties of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid?
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid has a molecular weight of 448.43 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid;4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid is sourced from PubChem (CID 70477882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).