3-[3-(4-fluoro-3-methylphenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid

C24H24FN3O5 — CID 135366264

About 3-[3-(4-fluoro-3-methylphenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid

3-[3-(4-fluoro-3-methylphenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid (PubChem CID 135366264) has the molecular formula C24H24FN3O5 and a molecular weight of 453.47 g/mol. Its IUPAC name is 3-[3-(4-fluoro-3-methylphenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid.

Molecular Properties

• Compound Name: 3-[3-(4-fluoro-3-methylphenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid
• PubChem CID: 135366264
• Molecular Formula: C24H24FN3O5
• Molecular Weight: 453.47 g/mol
• Exact Mass: 453.17
• IUPAC Name: 3-[3-(4-fluoro-3-methylphenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid
• SMILES: Cc1cc(-c2cccc(C(CC(=O)O)NC(=O)Nc3c(O)c(C)cn(C)c3=O)c2)ccc1F
• InChI: InChI=1S/C24H24FN3O5/c1-13-9-16(7-8-18(13)25)15-5-4-6-17(10-15)19(11-20(29)30)26-24(33)27-21-22(31)14(2)12-28(3)23(21)32/h4-10,12,19,31H,11H2,1-3H3,(H,29,30)(H2,26,27,33)
• InChIKey: WFGJZMPMKNSQFP-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 120.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.47
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluoro-3-methylphenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid?

The IUPAC name of 3-[3-(4-fluoro-3-methylphenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid (CID 135366264) is 3-[3-(4-fluoro-3-methylphenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid.

What is the SMILES notation for 3-[3-(4-fluoro-3-methylphenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid?

The canonical SMILES for 3-[3-(4-fluoro-3-methylphenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid is Cc1cc(-c2cccc(C(CC(=O)O)NC(=O)Nc3c(O)c(C)cn(C)c3=O)c2)ccc1F.

What is the InChIKey of 3-[3-(4-fluoro-3-methylphenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid?

The InChIKey is WFGJZMPMKNSQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O5/c1-13-9-16(7-8-18(13)25)15-5-4-6-17(10-15)19(11-20(29)30)26-24(33)27-21-22(31)14(2)12-28(3)23(21)32/h4-10,12,19,31H,11H2,1-3H3,(H,29,30)(H2,26,27,33).

What are the key properties of 3-[3-(4-fluoro-3-methylphenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid?

3-[3-(4-fluoro-3-methylphenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid has a molecular weight of 453.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-fluoro-3-methylphenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 135366264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).