[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate

C26H42N4O6 — CID 164602986

About [7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate

[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate (PubChem CID 164602986) has the molecular formula C26H42N4O6 and a molecular weight of 506.64 g/mol. Its IUPAC name is [7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate.

Molecular Properties

• Compound Name: [7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
• PubChem CID: 164602986
• Molecular Formula: C26H42N4O6
• Molecular Weight: 506.64 g/mol
• Exact Mass: 506.31
• IUPAC Name: [7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
• SMILES: CC(C)C[C@H](NC(=O)OC1CC2(CCN(C(=O)C(C)C)CC2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O
• InChI: InChI=1S/C26H42N4O6/c1-16(2)11-21(23(33)28-19(15-31)12-18-5-8-27-22(18)32)29-25(35)36-20-13-26(14-20)6-9-30(10-7-26)24(34)17(3)4/h15-21H,5-14H2,1-4H3,(H,27,32)(H,28,33)(H,29,35)/t18-,19+,21+/m1/s1
• InChIKey: WLBUCUACJSZEPS-DYXWJJEUSA-N
• XLogP: 1.76
• TPSA: 133.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.64
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate?

The IUPAC name of [7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate (CID 164602986) is [7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate.

What is the SMILES notation for [7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate?

The canonical SMILES for [7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OC1CC2(CCN(C(=O)C(C)C)CC2)C1)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O.

What is the InChIKey of [7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate?

The InChIKey is WLBUCUACJSZEPS-DYXWJJEUSA-N. The full InChI is InChI=1S/C26H42N4O6/c1-16(2)11-21(23(33)28-19(15-31)12-18-5-8-27-22(18)32)29-25(35)36-20-13-26(14-20)6-9-30(10-7-26)24(34)17(3)4/h15-21H,5-14H2,1-4H3,(H,27,32)(H,28,33)(H,29,35)/t18-,19+,21+/m1/s1.

What are the key properties of [7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate?

[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate has a molecular weight of 506.64 g/mol, XLogP of 1.76, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate is sourced from PubChem (CID 164602986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).