1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-oxopiperidine-3-carboxamide

About 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-oxopiperidine-3-carboxamide

1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-oxopiperidine-3-carboxamide (PubChem CID 167333890) has the molecular formula C21H31F3N4O6 and a molecular weight of 492.50 g/mol. Its IUPAC name is 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name	1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-oxopiperidine-3-carboxamide
PubChem CID	167333890
Molecular Formula	C21H31F3N4O6
Molecular Weight	492.50 g/mol
Exact Mass	492.22
IUPAC Name	1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-oxopiperidine-3-carboxamide
SMILES	CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F)N1CCCC(C(N)=O)C1=O
InChI	InChI=1S/C21H31F3N4O6/c1-11(2)8-15(28-7-3-4-13(17(25)30)20(28)33)19(32)27-14(9-12-5-6-26-18(12)31)16(29)10-34-21(22,23)24/h11-15H,3-10H2,1-2H3,(H2,25,30)(H,26,31)(H,27,32)/t12-,13?,14-,15-/m0/s1
InChIKey	ZWOUODILTBLURM-AKRBKJBTSA-N
XLogP	0.24
TPSA	147.90 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	11
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.50
LogP ≤ 5	0.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-oxopiperidine-3-carboxamide (CID 167333890) is 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-oxopiperidine-3-carboxamide.

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

The canonical SMILES for 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-oxopiperidine-3-carboxamide is CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F)N1CCCC(C(N)=O)C1=O.

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

The InChIKey is ZWOUODILTBLURM-AKRBKJBTSA-N. The full InChI is InChI=1S/C21H31F3N4O6/c1-11(2)8-15(28-7-3-4-13(17(25)30)20(28)33)19(32)27-14(9-12-5-6-26-18(12)31)16(29)10-34-21(22,23)24/h11-15H,3-10H2,1-2H3,(H2,25,30)(H,26,31)(H,27,32)/t12-,13?,14-,15-/m0/s1.

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

1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-oxopiperidine-3-carboxamide has a molecular weight of 492.50 g/mol, XLogP of 0.24, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 167333890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).