[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C17H27N3O5 — CID 55367108

About [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 55367108) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

• Compound Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
• PubChem CID: 55367108
• Molecular Formula: C17H27N3O5
• Molecular Weight: 353.42 g/mol
• Exact Mass: 353.20
• IUPAC Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
• SMILES: CC(C)NC(=O)C(C)OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
• InChI: InChI=1S/C17H27N3O5/c1-11(2)18-14(22)12(3)25-13(21)10-20-15(23)17(19(4)16(20)24)8-6-5-7-9-17/h11-12H,5-10H2,1-4H3,(H,18,22)
• InChIKey: MZUGENGEJRYQBP-UHFFFAOYSA-N
• XLogP: 1.04
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.42
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?

The IUPAC name of [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 55367108) is [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

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

The canonical SMILES for [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CC(C)NC(=O)C(C)OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O.

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

The InChIKey is MZUGENGEJRYQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-11(2)18-14(22)12(3)25-13(21)10-20-15(23)17(19(4)16(20)24)8-6-5-7-9-17/h11-12H,5-10H2,1-4H3,(H,18,22).

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

[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 353.42 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 55367108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).