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

C11H14FNO3 — CID 68527520

IUPAC2-(3-fluoro-4-hydroxy-N-methylanilino)butanoic acid
SMILESCCC(C(=O)O)N(C)c1ccc(O)c(F)c1
InChIInChI=1S/C11H14FNO3/c1-3-9(11(15)16)13(2)7-4-5-10(14)8(12)6-7/h4-6,9,14H,3H2,1-2H3,(H,15,16)
InChIKeyOOYYPAIRSXYSBC-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.83
Rot. Bonds4

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

2-(3-fluoro-4-hydroxy-N-methylanilino)butanoic acid (PubChem CID 68527520) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxy-N-methylanilino)butanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxy-N-methylanilino)butanoic acid
PubChem CID68527520
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name2-(3-fluoro-4-hydroxy-N-methylanilino)butanoic acid
SMILESCCC(C(=O)O)N(C)c1ccc(O)c(F)c1
InChIInChI=1S/C11H14FNO3/c1-3-9(11(15)16)13(2)7-4-5-10(14)8(12)6-7/h4-6,9,14H,3H2,1-2H3,(H,15,16)
InChIKeyOOYYPAIRSXYSBC-UHFFFAOYSA-N
XLogP1.83
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluoro-4-hydroxy-N-methylanilino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-methyl-4-(trifluoromethyl)anilino]butanoic acid
CID 62648084
2-(N-methyl-4-propan-2-ylanilino)butanoic acid
CID 133150282
2-fluoro-4-[methyl(pentan-3-yl)amino]benzoic acid
CID 115485310
2-(4-cyano-N,3-dimethylanilino)butanoic acid
CID 81273602
2-[(2,6-difluorophenyl)methyl-methylamino]butanoic acid
CID 65068207
2-[(2,4-dihydroxyphenyl)methyl-methylamino]butanoic acid
CID 65067634
2-(N-amino-4-fluoroanilino)butanoic acid;hydrochloride
CID 67361117
2-(3,5-difluoro-N-methyl-2-nitroanilino)butanoic acid
CID 115507434
2-(2-cyano-4-fluoro-N-methylanilino)butanoic acid
CID 63673420
2-[methyl-(2,4,6-trifluorobenzoyl)amino]butanoic acid
CID 65101524
(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]butanoic acid
CID 125443485
2-[2-aminoethyl(methyl)amino]butanoic acid
CID 63654075

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxy-N-methylanilino)butanoic acid?
The IUPAC name of 2-(3-fluoro-4-hydroxy-N-methylanilino)butanoic acid (CID 68527520) is 2-(3-fluoro-4-hydroxy-N-methylanilino)butanoic acid.
What is the SMILES notation for 2-(3-fluoro-4-hydroxy-N-methylanilino)butanoic acid?
The canonical SMILES for 2-(3-fluoro-4-hydroxy-N-methylanilino)butanoic acid is CCC(C(=O)O)N(C)c1ccc(O)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-hydroxy-N-methylanilino)butanoic acid?
The InChIKey is OOYYPAIRSXYSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-3-9(11(15)16)13(2)7-4-5-10(14)8(12)6-7/h4-6,9,14H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-fluoro-4-hydroxy-N-methylanilino)butanoic acid?
2-(3-fluoro-4-hydroxy-N-methylanilino)butanoic acid has a molecular weight of 227.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxy-N-methylanilino)butanoic acid is sourced from PubChem (CID 68527520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).