2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid

C11H13FN2O3 — CID 66617902

IUPAC2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid
SMILESCC(C)(Nc1ccc(C(N)=O)c(F)c1)C(=O)O
InChIInChI=1S/C11H13FN2O3/c1-11(2,10(16)17)14-6-3-4-7(9(13)15)8(12)5-6/h3-5,14H,1-2H3,(H2,13,15)(H,16,17)
InChIKeyXBQJUHYDJFUQBE-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.20
Rot. Bonds4

About 2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid

2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid (PubChem CID 66617902) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid
PubChem CID66617902
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid
SMILESCC(C)(Nc1ccc(C(N)=O)c(F)c1)C(=O)O
InChIInChI=1S/C11H13FN2O3/c1-11(2,10(16)17)14-6-3-4-7(9(13)15)8(12)5-6/h3-5,14H,1-2H3,(H2,13,15)(H,16,17)
InChIKeyXBQJUHYDJFUQBE-UHFFFAOYSA-N
XLogP1.20
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetyl-3-fluoroanilino)-2-methylpropanoic acid
CID 58083478
2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid
CID 55153736
4-(tert-butylamino)-2-fluorobenzoic acid
CID 66789371
4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide
CID 102561077
methyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate
CID 153206429
2-bromo-5-(2-carboxypropan-2-ylamino)benzoic acid
CID 121392515
2-amino-4-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]benzoic acid
CID 104500511
2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide
CID 88957064
2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid
CID 114988661
2,4-difluorobenzamide;dihydrochloride
CID 22032026
3-(4-carbamoyl-3-methylanilino)-3-methylbutanoic acid
CID 81273843
4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-fluorobenzoic acid
CID 103869120

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid?
The IUPAC name of 2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid (CID 66617902) is 2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid is CC(C)(Nc1ccc(C(N)=O)c(F)c1)C(=O)O.
What is the InChIKey of 2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid?
The InChIKey is XBQJUHYDJFUQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-11(2,10(16)17)14-6-3-4-7(9(13)15)8(12)5-6/h3-5,14H,1-2H3,(H2,13,15)(H,16,17).
What are the key properties of 2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid?
2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid has a molecular weight of 240.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid is sourced from PubChem (CID 66617902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).