7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic acid

C17H30N2O5 — CID 12788634

IUPAC7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic acid
SMILESCCCOCCCCN1C(=O)NC(=O)C1CCCCCCC(=O)O
InChIInChI=1S/C17H30N2O5/c1-2-12-24-13-8-7-11-19-14(16(22)18-17(19)23)9-5-3-4-6-10-15(20)21/h14H,2-13H2,1H3,(H,20,21)(H,18,22,23)
InChIKeyZTXVXLSPVLRDKM-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.54
Rot. Bonds14

About 7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic acid

7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic acid (PubChem CID 12788634) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is 7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic acid.

Molecular Properties

Compound Name7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic acid
PubChem CID12788634
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Name7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic acid
SMILESCCCOCCCCN1C(=O)NC(=O)C1CCCCCCC(=O)O
InChIInChI=1S/C17H30N2O5/c1-2-12-24-13-8-7-11-19-14(16(22)18-17(19)23)9-5-3-4-6-10-15(20)21/h14H,2-13H2,1H3,(H,20,21)(H,18,22,23)
InChIKeyZTXVXLSPVLRDKM-UHFFFAOYSA-N
XLogP2.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic 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 7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic acid?
The IUPAC name of 7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic acid (CID 12788634) is 7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic acid.
What is the SMILES notation for 7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic acid?
The canonical SMILES for 7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic acid is CCCOCCCCN1C(=O)NC(=O)C1CCCCCCC(=O)O.
What is the InChIKey of 7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic acid?
The InChIKey is ZTXVXLSPVLRDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-2-12-24-13-8-7-11-19-14(16(22)18-17(19)23)9-5-3-4-6-10-15(20)21/h14H,2-13H2,1H3,(H,20,21)(H,18,22,23).
What are the key properties of 7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic acid?
7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic acid has a molecular weight of 342.44 g/mol, XLogP of 2.54, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,5-dioxo-3-(4-propoxybutyl)imidazolidin-4-yl]heptanoic acid is sourced from PubChem (CID 12788634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).