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

C10H16N2O4 — CID 12942451

IUPAC3-(1-butyl-2,5-dioxoimidazolidin-4-yl)propanoic acid
SMILESCCCCN1C(=O)NC(CCC(=O)O)C1=O
InChIInChI=1S/C10H16N2O4/c1-2-3-6-12-9(15)7(11-10(12)16)4-5-8(13)14/h7H,2-6H2,1H3,(H,11,16)(H,13,14)
InChIKeyNXUXPSGTKGEYPE-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.57
Rot. Bonds6

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

3-(1-butyl-2,5-dioxoimidazolidin-4-yl)propanoic acid (PubChem CID 12942451) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(1-butyl-2,5-dioxoimidazolidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-butyl-2,5-dioxoimidazolidin-4-yl)propanoic acid
PubChem CID12942451
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-(1-butyl-2,5-dioxoimidazolidin-4-yl)propanoic acid
SMILESCCCCN1C(=O)NC(CCC(=O)O)C1=O
InChIInChI=1S/C10H16N2O4/c1-2-3-6-12-9(15)7(11-10(12)16)4-5-8(13)14/h7H,2-6H2,1H3,(H,11,16)(H,13,14)
InChIKeyNXUXPSGTKGEYPE-UHFFFAOYSA-N
XLogP0.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.57
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-(1-butyl-2,5-dioxoimidazolidin-4-yl)propanoic acid?
The IUPAC name of 3-(1-butyl-2,5-dioxoimidazolidin-4-yl)propanoic acid (CID 12942451) is 3-(1-butyl-2,5-dioxoimidazolidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-butyl-2,5-dioxoimidazolidin-4-yl)propanoic acid?
The canonical SMILES for 3-(1-butyl-2,5-dioxoimidazolidin-4-yl)propanoic acid is CCCCN1C(=O)NC(CCC(=O)O)C1=O.
What is the InChIKey of 3-(1-butyl-2,5-dioxoimidazolidin-4-yl)propanoic acid?
The InChIKey is NXUXPSGTKGEYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-3-6-12-9(15)7(11-10(12)16)4-5-8(13)14/h7H,2-6H2,1H3,(H,11,16)(H,13,14).
What are the key properties of 3-(1-butyl-2,5-dioxoimidazolidin-4-yl)propanoic acid?
3-(1-butyl-2,5-dioxoimidazolidin-4-yl)propanoic acid has a molecular weight of 228.25 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butyl-2,5-dioxoimidazolidin-4-yl)propanoic acid is sourced from PubChem (CID 12942451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).