[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate

C19H28N4O6 — CID 75397187

About [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate

[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate (PubChem CID 75397187) has the molecular formula C19H28N4O6 and a molecular weight of 408.46 g/mol. Its IUPAC name is [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate.

Molecular Properties

• Compound Name: [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate
• PubChem CID: 75397187
• Molecular Formula: C19H28N4O6
• Molecular Weight: 408.46 g/mol
• Exact Mass: 408.20
• IUPAC Name: [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate
• SMILES: CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)CCC1(C)CCC(=O)N1)C2=O
• InChI: InChI=1S/C19H28N4O6/c1-12-3-9-19(10-4-12)16(27)23(17(28)21-19)22-14(25)11-29-15(26)6-8-18(2)7-5-13(24)20-18/h12H,3-11H2,1-2H3,(H,20,24)(H,21,28)(H,22,25)
• InChIKey: YSNVRCOJRVRQFY-UHFFFAOYSA-N
• XLogP: 0.51
• TPSA: 133.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.46
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	3
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-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate?

The IUPAC name of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate (CID 75397187) is [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate.

What is the SMILES notation for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate?

The canonical SMILES for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate is CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)CCC1(C)CCC(=O)N1)C2=O.

What is the InChIKey of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate?

The InChIKey is YSNVRCOJRVRQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O6/c1-12-3-9-19(10-4-12)16(27)23(17(28)21-19)22-14(25)11-29-15(26)6-8-18(2)7-5-13(24)20-18/h12H,3-11H2,1-2H3,(H,20,24)(H,21,28)(H,22,25).

What are the key properties of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate?

[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate has a molecular weight of 408.46 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate is sourced from PubChem (CID 75397187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).