4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C20H23N3O5 — CID 119230357

About 4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119230357) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid
• PubChem CID: 119230357
• Molecular Formula: C20H23N3O5
• Molecular Weight: 385.42 g/mol
• Exact Mass: 385.16
• IUPAC Name: 4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid
• SMILES: O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)NC1CCC(C(=O)O)CC1
• InChI: InChI=1S/C20H23N3O5/c24-16(21-14-7-5-13(6-8-14)17(25)26)11-23-18(27)20(22-19(23)28)10-9-12-3-1-2-4-15(12)20/h1-4,13-14H,5-11H2,(H,21,24)(H,22,28)(H,25,26)
• InChIKey: KQNAPAWUQKBQKQ-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 115.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.42
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid?

The IUPAC name of 4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 119230357) is 4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

What is the SMILES notation for 4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid?

The canonical SMILES for 4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)NC1CCC(C(=O)O)CC1.

What is the InChIKey of 4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid?

The InChIKey is KQNAPAWUQKBQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c24-16(21-14-7-5-13(6-8-14)17(25)26)11-23-18(27)20(22-19(23)28)10-9-12-3-1-2-4-15(12)20/h1-4,13-14H,5-11H2,(H,21,24)(H,22,28)(H,25,26).

What are the key properties of 4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid?

4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119230357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).