2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid

C12H15F2NO2 — CID 115128075

IUPAC2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid
SMILESCC(C)(NCCc1cc(F)ccc1F)C(=O)O
InChIInChI=1S/C12H15F2NO2/c1-12(2,11(16)17)15-6-5-8-7-9(13)3-4-10(8)14/h3-4,7,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyVKPHACJGFZVRLT-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.96
Rot. Bonds5

About 2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid

2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid (PubChem CID 115128075) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid
PubChem CID115128075
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid
SMILESCC(C)(NCCc1cc(F)ccc1F)C(=O)O
InChIInChI=1S/C12H15F2NO2/c1-12(2,11(16)17)15-6-5-8-7-9(13)3-4-10(8)14/h3-4,7,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyVKPHACJGFZVRLT-UHFFFAOYSA-N
XLogP1.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2,5-difluorophenyl)ethylamino]-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-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
CID 94687146
N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
2-(2,5-difluorophenyl)ethylurea
CID 115168493
4-[2-(2,5-difluorophenyl)ethylamino]butan-2-one
CID 115235909
2-[(2,5-difluorophenyl)methylamino]-2-ethylbutanoic acid
CID 78950760
3-[2-(2,5-difluorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115135457
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492
2-[2-(5-bromo-2-methylphenyl)ethylamino]-2-methylpropanoic acid
CID 115128110
N-[2-(2,5-difluorophenyl)ethyl]benzamide
CID 110788162
1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111573173
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
2-amino-N-[2-(2,5-difluorophenyl)ethyl]acetamide
CID 82492756

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid (CID 115128075) is 2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid is CC(C)(NCCc1cc(F)ccc1F)C(=O)O.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid?
The InChIKey is VKPHACJGFZVRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-12(2,11(16)17)15-6-5-8-7-9(13)3-4-10(8)14/h3-4,7,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid?
2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid has a molecular weight of 243.25 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 115128075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).