3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid

C12H14FNO4 — CID 115298547

IUPAC3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H14FNO4/c1-12(2,6-10(16)17)14-11(18)8-5-7(13)3-4-9(8)15/h3-5,15H,6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyCFPIDDGIRAPEJG-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.51
Rot. Bonds4

About 3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid

3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid (PubChem CID 115298547) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
PubChem CID115298547
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H14FNO4/c1-12(2,6-10(16)17)14-11(18)8-5-7(13)3-4-9(8)15/h3-5,15H,6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyCFPIDDGIRAPEJG-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-5-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64672122
2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 115298445
3-[(4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64670730
3-methyl-3-[(2,3,4-trifluorobenzoyl)amino]butanoic acid
CID 79749914
3-[(2-chloro-4,5-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 64672306
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
CID 115365585
5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide
CID 107730406
N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide
CID 114308135
2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 14002103
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide
CID 104579471
N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide
CID 106142770

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid (CID 115298547) is 3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)c1cc(F)ccc1O.
What is the InChIKey of 3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid?
The InChIKey is CFPIDDGIRAPEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-12(2,6-10(16)17)14-11(18)8-5-7(13)3-4-9(8)15/h3-5,15H,6H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid?
3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 115298547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).