methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

C17H15F3N2O5 — CID 124850413

About methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 124850413) has the molecular formula C17H15F3N2O5 and a molecular weight of 384.31 g/mol. Its IUPAC name is methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
• PubChem CID: 124850413
• Molecular Formula: C17H15F3N2O5
• Molecular Weight: 384.31 g/mol
• Exact Mass: 384.09
• IUPAC Name: methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
• SMILES: COC(=O)c1c[nH]c(=O)c([C@H](CC(N)=O)c2ccc(C(F)(F)F)cc2)c1O
• InChI: InChI=1S/C17H15F3N2O5/c1-27-16(26)11-7-22-15(25)13(14(11)24)10(6-12(21)23)8-2-4-9(5-3-8)17(18,19)20/h2-5,7,10H,6H2,1H3,(H2,21,23)(H2,22,24,25)/t10-/m1/s1
• InChIKey: QNUZKDJHNBFOOO-SNVBAGLBSA-N
• XLogP: 1.89
• TPSA: 122.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.31
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?

The IUPAC name of methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (CID 124850413) is methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

What is the SMILES notation for methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?

The canonical SMILES for methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]c(=O)c([C@H](CC(N)=O)c2ccc(C(F)(F)F)cc2)c1O.

What is the InChIKey of methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?

The InChIKey is QNUZKDJHNBFOOO-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15F3N2O5/c1-27-16(26)11-7-22-15(25)13(14(11)24)10(6-12(21)23)8-2-4-9(5-3-8)17(18,19)20/h2-5,7,10H,6H2,1H3,(H2,21,23)(H2,22,24,25)/t10-/m1/s1.

What are the key properties of methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?

methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 384.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 124850413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).