N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(1-methylcyclopropyl)oxamide

C21H29F3N4O6 — CID 166170210

About N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(1-methylcyclopropyl)oxamide

N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(1-methylcyclopropyl)oxamide (PubChem CID 166170210) has the molecular formula C21H29F3N4O6 and a molecular weight of 490.48 g/mol. Its IUPAC name is N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(1-methylcyclopropyl)oxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(1-methylcyclopropyl)oxamide
• PubChem CID: 166170210
• Molecular Formula: C21H29F3N4O6
• Molecular Weight: 490.48 g/mol
• Exact Mass: 490.20
• IUPAC Name: N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(1-methylcyclopropyl)oxamide
• SMILES: CC1(NC(=O)C(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)COC(F)(F)F)CC1
• InChI: InChI=1S/C21H29F3N4O6/c1-20(5-6-20)28-19(33)18(32)27-14(8-11-2-3-11)17(31)26-13(9-12-4-7-25-16(12)30)15(29)10-34-21(22,23)24/h11-14H,2-10H2,1H3,(H,25,30)(H,26,31)(H,27,32)(H,28,33)/t12-,13-,14-/m0/s1
• InChIKey: LKWDKGUIXDBPQU-IHRRRGAJSA-N
• XLogP: 0.06
• TPSA: 142.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.48
LogP ≤ 5	0.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(1-methylcyclopropyl)oxamide (CID 166170210) is N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(1-methylcyclopropyl)oxamide.

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

The canonical SMILES for N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(1-methylcyclopropyl)oxamide is CC1(NC(=O)C(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)COC(F)(F)F)CC1.

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

The InChIKey is LKWDKGUIXDBPQU-IHRRRGAJSA-N. The full InChI is InChI=1S/C21H29F3N4O6/c1-20(5-6-20)28-19(33)18(32)27-14(8-11-2-3-11)17(31)26-13(9-12-4-7-25-16(12)30)15(29)10-34-21(22,23)24/h11-14H,2-10H2,1H3,(H,25,30)(H,26,31)(H,27,32)(H,28,33)/t12-,13-,14-/m0/s1.

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

N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(1-methylcyclopropyl)oxamide has a molecular weight of 490.48 g/mol, XLogP of 0.06, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(1-methylcyclopropyl)oxamide is sourced from PubChem (CID 166170210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).