2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]acetic acid

C21H20F3N3O6 — CID 10389844

About 2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]acetic acid

2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]acetic acid (PubChem CID 10389844) has the molecular formula C21H20F3N3O6 and a molecular weight of 467.40 g/mol. Its IUPAC name is 2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]acetic acid
• PubChem CID: 10389844
• Molecular Formula: C21H20F3N3O6
• Molecular Weight: 467.40 g/mol
• Exact Mass: 467.13
• IUPAC Name: 2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]acetic acid
• SMILES: CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)C(=O)O)c1=O)C(=O)C(F)(F)F
• InChI: InChI=1S/C21H20F3N3O6/c1-11(2)16(17(29)21(22,23)24)26-15(28)10-27-14(12-6-4-3-5-7-12)9-8-13(19(27)31)25-18(30)20(32)33/h3-9,11,16H,10H2,1-2H3,(H,25,30)(H,26,28)(H,32,33)
• InChIKey: WTBFGISDYFAKSP-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 134.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.40
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	3
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 2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]acetic acid?

The IUPAC name of 2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]acetic acid (CID 10389844) is 2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]acetic acid.

What is the SMILES notation for 2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]acetic acid?

The canonical SMILES for 2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]acetic acid is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)C(=O)O)c1=O)C(=O)C(F)(F)F.

What is the InChIKey of 2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]acetic acid?

The InChIKey is WTBFGISDYFAKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O6/c1-11(2)16(17(29)21(22,23)24)26-15(28)10-27-14(12-6-4-3-5-7-12)9-8-13(19(27)31)25-18(30)20(32)33/h3-9,11,16H,10H2,1-2H3,(H,25,30)(H,26,28)(H,32,33).

What are the key properties of 2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]acetic acid?

2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]acetic acid has a molecular weight of 467.40 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]acetic acid is sourced from PubChem (CID 10389844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).