2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid

C11H13F2NO2 — CID 84792629

IUPAC2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid
SMILESCc1c(F)cc(CC(N)C(=O)O)c(C)c1F
InChIInChI=1S/C11H13F2NO2/c1-5-7(4-9(14)11(15)16)3-8(12)6(2)10(5)13/h3,9H,4,14H2,1-2H3,(H,15,16)
InChIKeyNYCGCFWXUYNBHR-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.54
Rot. Bonds3

About 2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid

2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid (PubChem CID 84792629) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid
PubChem CID84792629
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid
SMILESCc1c(F)cc(CC(N)C(=O)O)c(C)c1F
InChIInChI=1S/C11H13F2NO2/c1-5-7(4-9(14)11(15)16)3-8(12)6(2)10(5)13/h3,9H,4,14H2,1-2H3,(H,15,16)
InChIKeyNYCGCFWXUYNBHR-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)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

2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid
CID 84781647
2-amino-3-(2,5-difluoro-4-methylsulfanylphenyl)propanoic acid
CID 117370022
2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid
CID 117418267
(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid
CID 93478162
(2S)-2-amino-3-(2-fluoro-4,5-dihydroxyphenyl)propanoic acid;hydrate
CID 66764594
2-amino-3-[5-fluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]propanoic acid
CID 178095923
2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid
CID 117316222
2-amino-3-(2,4-difluoro-5-propan-2-ylphenyl)propanoic acid
CID 117359429
2-amino-3-(3-bromo-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid
CID 117471347
2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117326521
2-amino-3-(3-fluoro-2,4,5-trimethoxyphenyl)propanoic acid
CID 117435384
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid (CID 84792629) is 2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid is Cc1c(F)cc(CC(N)C(=O)O)c(C)c1F.
What is the InChIKey of 2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid?
The InChIKey is NYCGCFWXUYNBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-5-7(4-9(14)11(15)16)3-8(12)6(2)10(5)13/h3,9H,4,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid?
2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid has a molecular weight of 229.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid is sourced from PubChem (CID 84792629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).