2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid

C16H15FN2O4 — CID 71143239

IUPAC2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ncc(-c2ccc(F)cc2)cc1O)C(=O)O
InChIInChI=1S/C16H15FN2O4/c1-16(2,15(22)23)19-14(21)13-12(20)7-10(8-18-13)9-3-5-11(17)6-4-9/h3-8,20H,1-2H3,(H,19,21)(H,22,23)
InChIKeyACFZGFXSQDJBSX-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.19
Rot. Bonds4

About 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid

2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 71143239) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid
PubChem CID71143239
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ncc(-c2ccc(F)cc2)cc1O)C(=O)O
InChIInChI=1S/C16H15FN2O4/c1-16(2,15(22)23)19-14(21)13-12(20)7-10(8-18-13)9-3-5-11(17)6-4-9/h3-8,20H,1-2H3,(H,19,21)(H,22,23)
InChIKeyACFZGFXSQDJBSX-UHFFFAOYSA-N
XLogP2.19
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid (CID 71143239) is 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1ncc(-c2ccc(F)cc2)cc1O)C(=O)O.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is ACFZGFXSQDJBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-16(2,15(22)23)19-14(21)13-12(20)7-10(8-18-13)9-3-5-11(17)6-4-9/h3-8,20H,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid?
2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 318.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 71143239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).