3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid

C24H24FN3O6 — CID 135366565

About 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid

3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid (PubChem CID 135366565) has the molecular formula C24H24FN3O6 and a molecular weight of 469.47 g/mol. Its IUPAC name is 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid.

Molecular Properties

• Compound Name: 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid
• PubChem CID: 135366565
• Molecular Formula: C24H24FN3O6
• Molecular Weight: 469.47 g/mol
• Exact Mass: 469.16
• IUPAC Name: 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid
• SMILES: COc1cccc(-c2cc(F)cc(C(CC(=O)O)NC(=O)Nc3c(O)cc(C)n(C)c3=O)c2)c1
• InChI: InChI=1S/C24H24FN3O6/c1-13-7-20(29)22(23(32)28(13)2)27-24(33)26-19(12-21(30)31)16-8-15(9-17(25)10-16)14-5-4-6-18(11-14)34-3/h4-11,19,29H,12H2,1-3H3,(H,30,31)(H2,26,27,33)
• InChIKey: KIBGGAIGNOVFPU-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 129.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.47
LogP ≤ 5	3.55
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-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid?

The IUPAC name of 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid (CID 135366565) is 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid.

What is the SMILES notation for 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid?

The canonical SMILES for 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid is COc1cccc(-c2cc(F)cc(C(CC(=O)O)NC(=O)Nc3c(O)cc(C)n(C)c3=O)c2)c1.

What is the InChIKey of 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid?

The InChIKey is KIBGGAIGNOVFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O6/c1-13-7-20(29)22(23(32)28(13)2)27-24(33)26-19(12-21(30)31)16-8-15(9-17(25)10-16)14-5-4-6-18(11-14)34-3/h4-11,19,29H,12H2,1-3H3,(H,30,31)(H2,26,27,33).

What are the key properties of 3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid?

3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid has a molecular weight of 469.47 g/mol, XLogP of 3.55, 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-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 135366565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).