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'}

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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).