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

C11H11F2NO4 — CID 66172000

IUPAC3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1cccc(F)c1F)C(=O)O
InChIInChI=1S/C11H11F2NO4/c1-11(18,10(16)17)5-14-9(15)6-3-2-4-7(12)8(6)13/h2-4,18H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyJNLDWHYUGRLNEL-UHFFFAOYSA-N
MW259.21 g/mol
LogP0.53
Rot. Bonds4

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

3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66172000) has the molecular formula C11H11F2NO4 and a molecular weight of 259.21 g/mol. Its IUPAC name is 3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66172000
Molecular FormulaC11H11F2NO4
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Name3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1cccc(F)c1F)C(=O)O
InChIInChI=1S/C11H11F2NO4/c1-11(18,10(16)17)5-14-9(15)6-3-2-4-7(12)8(6)13/h2-4,18H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyJNLDWHYUGRLNEL-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-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172745
3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174619
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588
N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide
CID 62660764
3-[(2,3-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172550
2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 66172396
2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550157
3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174920
N-(3,3-dimethylbutyl)-2,3-difluorobenzamide
CID 115605194
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451668

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66172000) is 3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)c1cccc(F)c1F)C(=O)O.
What is the InChIKey of 3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is JNLDWHYUGRLNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO4/c1-11(18,10(16)17)5-14-9(15)6-3-2-4-7(12)8(6)13/h2-4,18H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(2,3-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-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66172000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).