[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

C17H24N4O6 — CID 8880307

About [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (PubChem CID 8880307) has the molecular formula C17H24N4O6 and a molecular weight of 380.40 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

• Compound Name: [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
• PubChem CID: 8880307
• Molecular Formula: C17H24N4O6
• Molecular Weight: 380.40 g/mol
• Exact Mass: 380.17
• IUPAC Name: [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
• SMILES: C[C@H](OC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)C(=O)N1CCNC1=O
• InChI: InChI=1S/C17H24N4O6/c1-10-5-3-4-6-17(10)14(24)21(16(26)19-17)9-12(22)27-11(2)13(23)20-8-7-18-15(20)25/h10-11H,3-9H2,1-2H3,(H,18,25)(H,19,26)/t10-,11+,17-/m1/s1
• InChIKey: CEGIZYDFIGHZSY-VGTOOOLASA-N
• XLogP: -0.03
• TPSA: 125.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.40
LogP ≤ 5	-0.03
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 [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (CID 8880307) is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

What is the SMILES notation for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The canonical SMILES for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is C[C@H](OC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)C(=O)N1CCNC1=O.

What is the InChIKey of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The InChIKey is CEGIZYDFIGHZSY-VGTOOOLASA-N. The full InChI is InChI=1S/C17H24N4O6/c1-10-5-3-4-6-17(10)14(24)21(16(26)19-17)9-12(22)27-11(2)13(23)20-8-7-18-15(20)25/h10-11H,3-9H2,1-2H3,(H,18,25)(H,19,26)/t10-,11+,17-/m1/s1.

What are the key properties of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 380.40 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 8880307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).