3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid

C16H15F2NO2 — CID 135367196

IUPAC3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid
SMILESCc1ccc(C(N)CC(=O)O)cc1-c1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO2/c1-9-2-3-10(15(19)8-16(20)21)6-13(9)12-5-4-11(17)7-14(12)18/h2-7,15H,8,19H2,1H3,(H,20,21)
InChIKeyUIKDSIIEFXBJQY-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.41
Rot. Bonds4

About 3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid

3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid (PubChem CID 135367196) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid
PubChem CID135367196
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid
SMILESCc1ccc(C(N)CC(=O)O)cc1-c1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO2/c1-9-2-3-10(15(19)8-16(20)21)6-13(9)12-5-4-11(17)7-14(12)18/h2-7,15H,8,19H2,1H3,(H,20,21)
InChIKeyUIKDSIIEFXBJQY-UHFFFAOYSA-N
XLogP3.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic 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

3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid
CID 18526009
3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid
CID 135367202
(3S)-3-amino-3-[5-(2,4-difluorophenyl)-2-fluorophenyl]propanoic acid
CID 135366913
(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 135365867
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid
CID 117301399
(3S)-3-amino-3-(4-fluoro-3-iodophenyl)propanoic acid
CID 131224032
(3S)-3-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 78974752
5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid
CID 62941465
(3R)-3-amino-3-(4-bromo-3-methylphenyl)propanoic acid;hydrochloride
CID 162344228
ethyl 3-amino-3-(3-fluoro-4-methylphenyl)propanoate
CID 63644834
3-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoic acid
CID 79021977

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid?
The IUPAC name of 3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid (CID 135367196) is 3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid.
What is the SMILES notation for 3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid?
The canonical SMILES for 3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid is Cc1ccc(C(N)CC(=O)O)cc1-c1ccc(F)cc1F.
What is the InChIKey of 3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid?
The InChIKey is UIKDSIIEFXBJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-9-2-3-10(15(19)8-16(20)21)6-13(9)12-5-4-11(17)7-14(12)18/h2-7,15H,8,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid?
3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid has a molecular weight of 291.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid is sourced from PubChem (CID 135367196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).