2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid

C11H13F2NO2 — CID 105486323

IUPAC2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid
SMILESCC(C)(F)C(N)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C11H13F2NO2/c1-10(2,13)11(14,9(15)16)7-3-5-8(12)6-4-7/h3-6H,14H2,1-2H3,(H,15,16)
InChIKeyOUDCASBJXWFUCC-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.81
Rot. Bonds3

About 2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid

2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid (PubChem CID 105486323) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid
PubChem CID105486323
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid
SMILESCC(C)(F)C(N)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C11H13F2NO2/c1-10(2,13)11(14,9(15)16)7-3-5-8(12)6-4-7/h3-6H,14H2,1-2H3,(H,15,16)
InChIKeyOUDCASBJXWFUCC-UHFFFAOYSA-N
XLogP1.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic 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-2-(4-fluorophenyl)-2-hydroxyacetic acid
CID 70123452
2-fluoro-2-(4-fluorophenyl)propanedioic acid
CID 139618704
(2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid
CID 131872483
2,2,2-tris(4-fluorophenyl)acetic acid
CID 91545050
2-(4-fluorophenyl)propan-2-amine
CID 13025665
(2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid
CID 131872455
(2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 130618697
2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid
CID 140553951
1,1-difluoro-1-(4-fluorophenyl)propan-2-one
CID 83854791
(1R)-1-(4-fluorophenyl)-1-iodoethanamine
CID 67127925
(1S)-1-(4-fluorophenyl)-1-iodoethanamine
CID 67127984
2-(diethylamino)-2-(4-fluorophenyl)propanoic acid
CID 43803570

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid?
The IUPAC name of 2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid (CID 105486323) is 2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid.
What is the SMILES notation for 2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid?
The canonical SMILES for 2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid is CC(C)(F)C(N)(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid?
The InChIKey is OUDCASBJXWFUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-10(2,13)11(14,9(15)16)7-3-5-8(12)6-4-7/h3-6H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid?
2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid has a molecular weight of 229.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid is sourced from PubChem (CID 105486323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).