3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid

C12H14FNO4 — CID 107675134

IUPAC3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid
SMILESCC(NC(=O)c1ccc(O)cc1F)C(C)C(=O)O
InChIInChI=1S/C12H14FNO4/c1-6(12(17)18)7(2)14-11(16)9-4-3-8(15)5-10(9)13/h3-7,15H,1-2H3,(H,14,16)(H,17,18)
InChIKeyHFPWFZBVFQGBJA-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.37
Rot. Bonds4

About 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid

3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid (PubChem CID 107675134) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid
PubChem CID107675134
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid
SMILESCC(NC(=O)c1ccc(O)cc1F)C(C)C(=O)O
InChIInChI=1S/C12H14FNO4/c1-6(12(17)18)7(2)14-11(16)9-4-3-8(15)5-10(9)13/h3-7,15H,1-2H3,(H,14,16)(H,17,18)
InChIKeyHFPWFZBVFQGBJA-UHFFFAOYSA-N
XLogP1.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674650
N-(1-cyanoethyl)-2-fluoro-4-hydroxybenzamide
CID 103941304
N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide
CID 126774589
2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104929818
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide
CID 107676814
N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide
CID 104929706
(2S)-2-[(2-fluoro-4-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820252
N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677142
2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
CID 107676818
2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353165
2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 103941360
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103940037

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The IUPAC name of 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid (CID 107675134) is 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid is CC(NC(=O)c1ccc(O)cc1F)C(C)C(=O)O.
What is the InChIKey of 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The InChIKey is HFPWFZBVFQGBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-6(12(17)18)7(2)14-11(16)9-4-3-8(15)5-10(9)13/h3-7,15H,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid?
3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 107675134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).