2-(4-fluoro-3-methylanilino)butanoic acid

C11H14FNO2 — CID 64670151

IUPAC2-(4-fluoro-3-methylanilino)butanoic acid
SMILESCCC(Nc1ccc(F)c(C)c1)C(=O)O
InChIInChI=1S/C11H14FNO2/c1-3-10(11(14)15)13-8-4-5-9(12)7(2)6-8/h4-6,10,13H,3H2,1-2H3,(H,14,15)
InChIKeyAYXLGFQKPYILLQ-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-fluoro-3-methylanilino)butanoic acid

2-(4-fluoro-3-methylanilino)butanoic acid (PubChem CID 64670151) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylanilino)butanoic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-methylanilino)butanoic acid
PubChem CID64670151
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-(4-fluoro-3-methylanilino)butanoic acid
SMILESCCC(Nc1ccc(F)c(C)c1)C(=O)O
InChIInChI=1S/C11H14FNO2/c1-3-10(11(14)15)13-8-4-5-9(12)7(2)6-8/h4-6,10,13H,3H2,1-2H3,(H,14,15)
InChIKeyAYXLGFQKPYILLQ-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-carbamoyl-4-fluoroanilino)butanoic acid
CID 115352673
(2S)-2-(4-fluoro-3-methylanilino)non-8-enoic acid
CID 58176629
3-(4-fluoro-3-methylanilino)-2-methylbutanoic acid
CID 79397954
2-(5-acetamido-2-fluoroanilino)butanoic acid
CID 115352424
2-[4-(difluoromethoxy)-3-fluoroanilino]butanoic acid
CID 115353116
2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]butanoic acid
CID 115352494
(2S)-2-[(4-fluoro-3-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 62813429
4-fluoro-3-methyl-N-(1-phenylpropyl)aniline
CID 62809853
2-(3-bromo-4-fluoroanilino)pentanoic acid
CID 104777722
2-bromo-N-(4-fluoro-3-methylphenyl)butanamide
CID 62856020
2-(3,4-dimethylanilino)-4-methylpentanoic acid
CID 82129445
2-(4-fluoro-3-methylanilino)butanenitrile
CID 62811200

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylanilino)butanoic acid?
The IUPAC name of 2-(4-fluoro-3-methylanilino)butanoic acid (CID 64670151) is 2-(4-fluoro-3-methylanilino)butanoic acid.
What is the SMILES notation for 2-(4-fluoro-3-methylanilino)butanoic acid?
The canonical SMILES for 2-(4-fluoro-3-methylanilino)butanoic acid is CCC(Nc1ccc(F)c(C)c1)C(=O)O.
What is the InChIKey of 2-(4-fluoro-3-methylanilino)butanoic acid?
The InChIKey is AYXLGFQKPYILLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-3-10(11(14)15)13-8-4-5-9(12)7(2)6-8/h4-6,10,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-fluoro-3-methylanilino)butanoic acid?
2-(4-fluoro-3-methylanilino)butanoic acid has a molecular weight of 211.24 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylanilino)butanoic acid is sourced from PubChem (CID 64670151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).