2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid

C11H14FNO2 — CID 138535537

IUPAC2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid
SMILESCc1ccc(F)c(C(C)C(N)C(=O)O)c1
InChIInChI=1S/C11H14FNO2/c1-6-3-4-9(12)8(5-6)7(2)10(13)11(14)15/h3-5,7,10H,13H2,1-2H3,(H,14,15)
InChIKeyQBQZGMUUTMBYHF-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.65
Rot. Bonds3

About 2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid

2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid (PubChem CID 138535537) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid
PubChem CID138535537
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid
SMILESCc1ccc(F)c(C(C)C(N)C(=O)O)c1
InChIInChI=1S/C11H14FNO2/c1-6-3-4-9(12)8(5-6)7(2)10(13)11(14)15/h3-5,7,10H,13H2,1-2H3,(H,14,15)
InChIKeyQBQZGMUUTMBYHF-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(2,5-difluorophenyl)butanoic acid
CID 83909955
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(1R,2S)-1-amino-1-(2-fluoro-5-methylphenyl)-3-methylbutan-2-ol
CID 131455693
(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid
CID 14598183
methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate
CID 103846565
methyl (3S)-3-amino-3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoate
CID 171241005
methyl (3R)-3-amino-3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoate
CID 171247724
2-amino-3-(4-chlorophenyl)butanoic acid
CID 12743550
(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124
2-amino-3-(2,3-difluoro-5,6-dimethylphenyl)butanoic acid
CID 138535596
2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 131081700

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid?
The IUPAC name of 2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid (CID 138535537) is 2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid.
What is the SMILES notation for 2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid?
The canonical SMILES for 2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid is Cc1ccc(F)c(C(C)C(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid?
The InChIKey is QBQZGMUUTMBYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-6-3-4-9(12)8(5-6)7(2)10(13)11(14)15/h3-5,7,10H,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid?
2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid has a molecular weight of 211.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid is sourced from PubChem (CID 138535537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).