2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid

C11H14FNO2 — CID 170879455

IUPAC2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid
SMILESCc1cc(F)cc(C)c1CC(N)C(=O)O
InChIInChI=1S/C11H14FNO2/c1-6-3-8(12)4-7(2)9(6)5-10(13)11(14)15/h3-4,10H,5,13H2,1-2H3,(H,14,15)
InChIKeySANLCJMHKKCNSG-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.40
Rot. Bonds3

About 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid

2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid (PubChem CID 170879455) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid
PubChem CID170879455
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid
SMILESCc1cc(F)cc(C)c1CC(N)C(=O)O
InChIInChI=1S/C11H14FNO2/c1-6-3-8(12)4-7(2)9(6)5-10(13)11(14)15/h3-4,10H,5,13H2,1-2H3,(H,14,15)
InChIKeySANLCJMHKKCNSG-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

methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate
CID 170883567
(2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid
CID 10846511
4-[(2S)-2-amino-2-carboxyethyl]-3,5-dimethylbenzoic acid;hydrochloride
CID 141482509
(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
CID 154728811
(2S)-2-amino-3-(2,6-difluoro-3-methylphenyl)propanoic acid
CID 68718009
(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid
CID 93478162
2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid
CID 84679519
2-amino-3-(2,3,6-trimethylphenyl)propanoic acid
CID 122505443
(2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
CID 6992999
2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid
CID 84781647
2-amino-3-(3-bromo-4-hydroxy-2,6-dimethylphenyl)propanoic acid
CID 117464878
2-amino-3-(3-bromo-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid
CID 117471347

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid (CID 170879455) is 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid is Cc1cc(F)cc(C)c1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid?
The InChIKey is SANLCJMHKKCNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-6-3-8(12)4-7(2)9(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-(4-fluoro-2,6-dimethylphenyl)propanoic acid?
2-amino-3-(4-fluoro-2,6-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-(4-fluoro-2,6-dimethylphenyl)propanoic acid is sourced from PubChem (CID 170879455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).