3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid

C23H22FN3O6 — CID 135366581

About 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid

3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid (PubChem CID 135366581) has the molecular formula C23H22FN3O6 and a molecular weight of 455.44 g/mol. Its IUPAC name is 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid.

Molecular Properties

• Compound Name: 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid
• PubChem CID: 135366581
• Molecular Formula: C23H22FN3O6
• Molecular Weight: 455.44 g/mol
• Exact Mass: 455.15
• IUPAC Name: 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid
• SMILES: COc1cccc(-c2cc(F)cc(C(CC(=O)O)NC(=O)Nc3c(O)ccn(C)c3=O)c2)c1
• InChI: InChI=1S/C23H22FN3O6/c1-27-7-6-19(28)21(22(27)31)26-23(32)25-18(12-20(29)30)15-8-14(9-16(24)10-15)13-4-3-5-17(11-13)33-2/h3-11,18,28H,12H2,1-2H3,(H,29,30)(H2,25,26,32)
• InChIKey: OBQOIMWWIJMELJ-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 129.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.44
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid (CID 135366581) is 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid.

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

The canonical SMILES for 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid is COc1cccc(-c2cc(F)cc(C(CC(=O)O)NC(=O)Nc3c(O)ccn(C)c3=O)c2)c1.

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

The InChIKey is OBQOIMWWIJMELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O6/c1-27-7-6-19(28)21(22(27)31)26-23(32)25-18(12-20(29)30)15-8-14(9-16(24)10-15)13-4-3-5-17(11-13)33-2/h3-11,18,28H,12H2,1-2H3,(H,29,30)(H2,25,26,32).

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

3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid has a molecular weight of 455.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 135366581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).