methyl 2-methyl-5-[[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxymethyl]furan-3-carboxylate

C20H20N2O7 — CID 7708581

About methyl 2-methyl-5-[[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxymethyl]furan-3-carboxylate

methyl 2-methyl-5-[[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxymethyl]furan-3-carboxylate (PubChem CID 7708581) has the molecular formula C20H20N2O7 and a molecular weight of 400.39 g/mol. Its IUPAC name is methyl 2-methyl-5-[[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxymethyl]furan-3-carboxylate.

Molecular Properties

• Compound Name: methyl 2-methyl-5-[[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxymethyl]furan-3-carboxylate
• PubChem CID: 7708581
• Molecular Formula: C20H20N2O7
• Molecular Weight: 400.39 g/mol
• Exact Mass: 400.13
• IUPAC Name: methyl 2-methyl-5-[[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxymethyl]furan-3-carboxylate
• SMILES: COC(=O)c1cc(COC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)oc1C
• InChI: InChI=1S/C20H20N2O7/c1-12-15(17(24)27-3)9-14(29-12)11-28-16(23)10-22-18(25)20(2,21-19(22)26)13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3,(H,21,26)/t20-/m0/s1
• InChIKey: ZZFRETFFKQYDIH-FQEVSTJZSA-N
• XLogP: 1.89
• TPSA: 115.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.39
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxymethyl]furan-3-carboxylate?

The IUPAC name of methyl 2-methyl-5-[[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxymethyl]furan-3-carboxylate (CID 7708581) is methyl 2-methyl-5-[[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxymethyl]furan-3-carboxylate.

What is the SMILES notation for methyl 2-methyl-5-[[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxymethyl]furan-3-carboxylate?

The canonical SMILES for methyl 2-methyl-5-[[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxymethyl]furan-3-carboxylate is COC(=O)c1cc(COC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)oc1C.

What is the InChIKey of methyl 2-methyl-5-[[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxymethyl]furan-3-carboxylate?

The InChIKey is ZZFRETFFKQYDIH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N2O7/c1-12-15(17(24)27-3)9-14(29-12)11-28-16(23)10-22-18(25)20(2,21-19(22)26)13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3,(H,21,26)/t20-/m0/s1.

What are the key properties of methyl 2-methyl-5-[[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxymethyl]furan-3-carboxylate?

methyl 2-methyl-5-[[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxymethyl]furan-3-carboxylate has a molecular weight of 400.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-methyl-5-[[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxymethyl]furan-3-carboxylate is sourced from PubChem (CID 7708581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).