2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid

C11H14FNO2 — CID 84781647

IUPAC2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid
SMILESCc1cc(C)c(CC(N)C(=O)O)cc1F
InChIInChI=1S/C11H14FNO2/c1-6-3-7(2)9(12)4-8(6)5-10(13)11(14)15/h3-4,10H,5,13H2,1-2H3,(H,14,15)
InChIKeyZUQGAXDGNQVAIL-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.40
Rot. Bonds3

About 2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid

2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid (PubChem CID 84781647) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid
PubChem CID84781647
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid
SMILESCc1cc(C)c(CC(N)C(=O)O)cc1F
InChIInChI=1S/C11H14FNO2/c1-6-3-7(2)9(12)4-8(6)5-10(13)11(14)15/h3-4,10H,5,13H2,1-2H3,(H,14,15)
InChIKeyZUQGAXDGNQVAIL-UHFFFAOYSA-N
XLogP1.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-2,4-dimethylphenyl)-2-methylpropanoic acid
CID 84781211
2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117326521
2-amino-3-(4,5-dihydroxy-2-methylphenyl)propanoic acid
CID 21295204
2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid
CID 84792629
2-amino-3-(5-iodo-2-methylphenyl)propanoic acid
CID 130041752
2-amino-3-(2,5-difluoro-4-methylsulfanylphenyl)propanoic acid
CID 117370022
(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 162344184
(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid
CID 130612428
(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid
CID 93478162
2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid
CID 170879455
1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene
CID 160613848
2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid
CID 117418267

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid (CID 84781647) is 2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid is Cc1cc(C)c(CC(N)C(=O)O)cc1F.
What is the InChIKey of 2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid?
The InChIKey is ZUQGAXDGNQVAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-6-3-7(2)9(12)4-8(6)5-10(13)11(14)15/h3-4,10H,5,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid?
2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid has a molecular weight of 211.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid is sourced from PubChem (CID 84781647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).