1-hydroxy-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]cyclohexane-1-carboxamide

C22H34F3N3O6 — CID 170026838

About 1-hydroxy-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]cyclohexane-1-carboxamide

1-hydroxy-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]cyclohexane-1-carboxamide (PubChem CID 170026838) has the molecular formula C22H34F3N3O6 and a molecular weight of 493.52 g/mol. Its IUPAC name is 1-hydroxy-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]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 1-hydroxy-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]cyclohexane-1-carboxamide
• PubChem CID: 170026838
• Molecular Formula: C22H34F3N3O6
• Molecular Weight: 493.52 g/mol
• Exact Mass: 493.24
• IUPAC Name: 1-hydroxy-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]cyclohexane-1-carboxamide
• SMILES: CC(C)C[C@H](NC(=O)C1(O)CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F
• InChI: InChI=1S/C22H34F3N3O6/c1-13(2)10-16(28-20(32)21(33)7-4-3-5-8-21)19(31)27-15(11-14-6-9-26-18(14)30)17(29)12-34-22(23,24)25/h13-16,33H,3-12H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)/t14-,15-,16-/m0/s1
• InChIKey: QKRQTIDQQVREAG-JYJNAYRXSA-N
• XLogP: 1.33
• TPSA: 133.83 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	493.52
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-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]cyclohexane-1-carboxamide?

The IUPAC name of 1-hydroxy-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]cyclohexane-1-carboxamide (CID 170026838) is 1-hydroxy-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]cyclohexane-1-carboxamide.

What is the SMILES notation for 1-hydroxy-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]cyclohexane-1-carboxamide?

The canonical SMILES for 1-hydroxy-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]cyclohexane-1-carboxamide is CC(C)C[C@H](NC(=O)C1(O)CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F.

What is the InChIKey of 1-hydroxy-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]cyclohexane-1-carboxamide?

The InChIKey is QKRQTIDQQVREAG-JYJNAYRXSA-N. The full InChI is InChI=1S/C22H34F3N3O6/c1-13(2)10-16(28-20(32)21(33)7-4-3-5-8-21)19(31)27-15(11-14-6-9-26-18(14)30)17(29)12-34-22(23,24)25/h13-16,33H,3-12H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)/t14-,15-,16-/m0/s1.

What are the key properties of 1-hydroxy-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]cyclohexane-1-carboxamide?

1-hydroxy-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]cyclohexane-1-carboxamide has a molecular weight of 493.52 g/mol, XLogP of 1.33, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-hydroxy-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]cyclohexane-1-carboxamide is sourced from PubChem (CID 170026838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).