3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid

C11H11F2NO4 — CID 66172560

IUPAC3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C11H11F2NO4/c1-11(18,10(16)17)5-14-9(15)6-2-7(12)4-8(13)3-6/h2-4,18H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyBOUGBQPJAZNMAP-UHFFFAOYSA-N
MW259.21 g/mol
LogP0.53
Rot. Bonds4

About 3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66172560) has the molecular formula C11H11F2NO4 and a molecular weight of 259.21 g/mol. Its IUPAC name is 3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66172560
Molecular FormulaC11H11F2NO4
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Name3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C11H11F2NO4/c1-11(18,10(16)17)5-14-9(15)6-2-7(12)4-8(13)3-6/h2-4,18H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyBOUGBQPJAZNMAP-UHFFFAOYSA-N
XLogP0.53
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171951
N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide
CID 66170625
3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380870
3-[(4-chloro-3-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 107997969
3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 66173796
3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172564
3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 71972456
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 66171794
3-[(4-acetamidobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174171
2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid
CID 114103306
3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104638318

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66172560) is 3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)c1cc(F)cc(F)c1)C(=O)O.
What is the InChIKey of 3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is BOUGBQPJAZNMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO4/c1-11(18,10(16)17)5-14-9(15)6-2-7(12)4-8(13)3-6/h2-4,18H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 259.21 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66172560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).