[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-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

C24H38N4O6 — CID 164603032

About [2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-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

[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-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 164603032) has the molecular formula C24H38N4O6 and a molecular weight of 478.59 g/mol. Its IUPAC name is [2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-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: [2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-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: 164603032
• Molecular Formula: C24H38N4O6
• Molecular Weight: 478.59 g/mol
• Exact Mass: 478.28
• IUPAC Name: [2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-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(C1)CN(C(=O)C(C)C)C2)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O
• InChI: InChI=1S/C24H38N4O6/c1-14(2)7-19(21(31)26-17(11-29)8-16-5-6-25-20(16)30)27-23(33)34-18-9-24(10-18)12-28(13-24)22(32)15(3)4/h11,14-19H,5-10,12-13H2,1-4H3,(H,25,30)(H,26,31)(H,27,33)/t16-,17+,19+/m1/s1
• InChIKey: LSSJUNZXZYWFAQ-AOIWGVFYSA-N
• XLogP: 0.98
• TPSA: 133.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.59
LogP ≤ 5	0.98
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 [2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-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 [2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-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 164603032) is [2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-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 [2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-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 [2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-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(C1)CN(C(=O)C(C)C)C2)C(=O)N[C@H](C=O)C[C@H]1CCNC1=O.

What is the InChIKey of [2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-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 LSSJUNZXZYWFAQ-AOIWGVFYSA-N. The full InChI is InChI=1S/C24H38N4O6/c1-14(2)7-19(21(31)26-17(11-29)8-16-5-6-25-20(16)30)27-23(33)34-18-9-24(10-18)12-28(13-24)22(32)15(3)4/h11,14-19H,5-10,12-13H2,1-4H3,(H,25,30)(H,26,31)(H,27,33)/t16-,17+,19+/m1/s1.

What are the key properties of [2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-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?

[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-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 478.59 g/mol, XLogP of 0.98, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-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 164603032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).