3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid

C9H14N2O4 — CID 6486729

IUPAC3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid
SMILESCCCN1C(=O)NC(CCC(=O)O)C1=O
InChIInChI=1S/C9H14N2O4/c1-2-5-11-8(14)6(10-9(11)15)3-4-7(12)13/h6H,2-5H2,1H3,(H,10,15)(H,12,13)
InChIKeyXZDWEOWBEZCOGF-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.18
Rot. Bonds5

About 3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid

3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid (PubChem CID 6486729) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid
PubChem CID6486729
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid
SMILESCCCN1C(=O)NC(CCC(=O)O)C1=O
InChIInChI=1S/C9H14N2O4/c1-2-5-11-8(14)6(10-9(11)15)3-4-7(12)13/h6H,2-5H2,1H3,(H,10,15)(H,12,13)
InChIKeyXZDWEOWBEZCOGF-UHFFFAOYSA-N
XLogP0.18
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,5-dioxo-1-propylimidazolidin-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

Related Compounds

ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate
CID 11712165
ethyl 3-[1-[12-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]dodecyl]-2,5-dioxoimidazolidin-4-yl]propanoate
CID 11642629
3-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoic acid
CID 3487246
3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione
CID 43135563
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 51646647
3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid
CID 99868064
2-[(4R)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 124676639
3-[1-(2-methylpropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid
CID 112757978
3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione
CID 62023141
2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid
CID 105345329
3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 125284795
3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 43624651

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid?
The IUPAC name of 3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid (CID 6486729) is 3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid?
The canonical SMILES for 3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid is CCCN1C(=O)NC(CCC(=O)O)C1=O.
What is the InChIKey of 3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid?
The InChIKey is XZDWEOWBEZCOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-2-5-11-8(14)6(10-9(11)15)3-4-7(12)13/h6H,2-5H2,1H3,(H,10,15)(H,12,13).
What are the key properties of 3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid?
3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid has a molecular weight of 214.22 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid is sourced from PubChem (CID 6486729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).