N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-N'-(3-methylpyrrolidin-3-yl)oxamide

C22H34F3N5O6 — CID 166170337

About N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-N'-(3-methylpyrrolidin-3-yl)oxamide

N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-N'-(3-methylpyrrolidin-3-yl)oxamide (PubChem CID 166170337) has the molecular formula C22H34F3N5O6 and a molecular weight of 521.54 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-N'-(3-methylpyrrolidin-3-yl)oxamide.

Molecular Properties

• Compound Name: N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-N'-(3-methylpyrrolidin-3-yl)oxamide
• PubChem CID: 166170337
• Molecular Formula: C22H34F3N5O6
• Molecular Weight: 521.54 g/mol
• Exact Mass: 521.25
• IUPAC Name: N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-N'-(3-methylpyrrolidin-3-yl)oxamide
• SMILES: CC(C)C[C@H](NC(=O)C(=O)NC1(C)CCNC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F
• InChI: InChI=1S/C22H34F3N5O6/c1-12(2)8-15(29-19(34)20(35)30-21(3)5-7-26-11-21)18(33)28-14(9-13-4-6-27-17(13)32)16(31)10-36-22(23,24)25/h12-15,26H,4-11H2,1-3H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t13-,14-,15-,21?/m0/s1
• InChIKey: BILIJJGNPDJYOG-ORLSQXPHSA-N
• XLogP: -0.50
• TPSA: 154.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.54
LogP ≤ 5	-0.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-N'-(3-methylpyrrolidin-3-yl)oxamide?

The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-N'-(3-methylpyrrolidin-3-yl)oxamide (CID 166170337) is N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-N'-(3-methylpyrrolidin-3-yl)oxamide.

What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-N'-(3-methylpyrrolidin-3-yl)oxamide?

The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-N'-(3-methylpyrrolidin-3-yl)oxamide is CC(C)C[C@H](NC(=O)C(=O)NC1(C)CCNC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F.

What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-N'-(3-methylpyrrolidin-3-yl)oxamide?

The InChIKey is BILIJJGNPDJYOG-ORLSQXPHSA-N. The full InChI is InChI=1S/C22H34F3N5O6/c1-12(2)8-15(29-19(34)20(35)30-21(3)5-7-26-11-21)18(33)28-14(9-13-4-6-27-17(13)32)16(31)10-36-22(23,24)25/h12-15,26H,4-11H2,1-3H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t13-,14-,15-,21?/m0/s1.

What are the key properties of N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-N'-(3-methylpyrrolidin-3-yl)oxamide?

N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-N'-(3-methylpyrrolidin-3-yl)oxamide has a molecular weight of 521.54 g/mol, XLogP of -0.50, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-N'-(3-methylpyrrolidin-3-yl)oxamide is sourced from PubChem (CID 166170337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).