2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid

C11H14FNO3 — CID 107660407

IUPAC2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid
SMILESCc1cccc(OCC(C)(N)C(=O)O)c1F
InChIInChI=1S/C11H14FNO3/c1-7-4-3-5-8(9(7)12)16-6-11(2,13)10(14)15/h3-5H,6,13H2,1-2H3,(H,14,15)
InChIKeyRCFODAPBYNXAIU-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.31
Rot. Bonds4

About 2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid

2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid (PubChem CID 107660407) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid
PubChem CID107660407
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid
SMILESCc1cccc(OCC(C)(N)C(=O)O)c1F
InChIInChI=1S/C11H14FNO3/c1-7-4-3-5-8(9(7)12)16-6-11(2,13)10(14)15/h3-5H,6,13H2,1-2H3,(H,14,15)
InChIKeyRCFODAPBYNXAIU-UHFFFAOYSA-N
XLogP1.31
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic 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-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol
CID 107662111
ethyl 4-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-3-oxobutanoate
CID 107659444
2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid
CID 123986153
2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid
CID 68716291
methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate
CID 107660467
methyl 3-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propylamino)propanoate
CID 107660489
2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid
CID 62785817
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
CID 103988371
6-(2-fluoro-3-methylphenoxy)hexanoic acid
CID 107655017
1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol
CID 107657515
3-[(2-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 113435752
methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
CID 107660515

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid (CID 107660407) is 2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid is Cc1cccc(OCC(C)(N)C(=O)O)c1F.
What is the InChIKey of 2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid?
The InChIKey is RCFODAPBYNXAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-7-4-3-5-8(9(7)12)16-6-11(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-3-methylphenoxy)-2-methylpropanoic acid?
2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid has a molecular weight of 227.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid is sourced from PubChem (CID 107660407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).