2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid

C11H14FNO2 — CID 123986153

IUPAC2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid
SMILESCc1cccc(F)c1CC(C)(N)C(=O)O
InChIInChI=1S/C11H14FNO2/c1-7-4-3-5-9(12)8(7)6-11(2,13)10(14)15/h3-5H,6,13H2,1-2H3,(H,14,15)
InChIKeyOOLCZDKGAQSMMG-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.48
Rot. Bonds3

About 2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid

2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid (PubChem CID 123986153) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid
PubChem CID123986153
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid
SMILESCc1cccc(F)c1CC(C)(N)C(=O)O
InChIInChI=1S/C11H14FNO2/c1-7-4-3-5-9(12)8(7)6-11(2,13)10(14)15/h3-5H,6,13H2,1-2H3,(H,14,15)
InChIKeyOOLCZDKGAQSMMG-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid
CID 68716291
2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene
CID 58149351
2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid
CID 107660407
2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid
CID 130039671
1-(2-fluoro-6-methylphenyl)propan-2-one
CID 84765067
1-(2,6-difluorophenyl)-2-(2-methylphenyl)propan-2-amine
CID 114931214
(2S)-2-amino-3-(4-borono-2,6-difluorophenyl)-2-methylpropanoic acid
CID 166544620
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
2-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid
CID 84733376
1-(2,6-difluorophenyl)-2-phenylpropan-2-ol
CID 114930959
2-[(2,6-difluorophenyl)methyl]-2-ethoxycarbonylbutanoic acid
CID 114935310
2-amino-6-(2,6-difluorophenoxy)-2-methylhexanoic acid
CID 81269489

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid (CID 123986153) is 2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid is Cc1cccc(F)c1CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid?
The InChIKey is OOLCZDKGAQSMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-4-3-5-9(12)8(7)6-11(2,13)10(14)15/h3-5H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid?
2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid has a molecular weight of 211.24 g/mol, XLogP of 1.48, 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-6-methylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 123986153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).