[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate

C19H23N3O6 — CID 8808234

About [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate

[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate (PubChem CID 8808234) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate.

Molecular Properties

• Compound Name: [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
• PubChem CID: 8808234
• Molecular Formula: C19H23N3O6
• Molecular Weight: 389.41 g/mol
• Exact Mass: 389.16
• IUPAC Name: [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
• SMILES: C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)COC(=O)[C@H]2CCCO2)C1=O
• InChI: InChI=1S/C19H23N3O6/c1-19(10-9-13-6-3-2-4-7-13)17(25)22(18(26)20-19)21-15(23)12-28-16(24)14-8-5-11-27-14/h2-4,6-7,14H,5,8-12H2,1H3,(H,20,26)(H,21,23)/t14-,19-/m1/s1
• InChIKey: NKDHIDHIRHSJSI-AUUYWEPGSA-N
• XLogP: 0.68
• TPSA: 114.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.41
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate?

The IUPAC name of [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate (CID 8808234) is [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate.

What is the SMILES notation for [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate?

The canonical SMILES for [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate is C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)COC(=O)[C@H]2CCCO2)C1=O.

What is the InChIKey of [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate?

The InChIKey is NKDHIDHIRHSJSI-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-19(10-9-13-6-3-2-4-7-13)17(25)22(18(26)20-19)21-15(23)12-28-16(24)14-8-5-11-27-14/h2-4,6-7,14H,5,8-12H2,1H3,(H,20,26)(H,21,23)/t14-,19-/m1/s1.

What are the key properties of [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate?

[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate is sourced from PubChem (CID 8808234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).