2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid

C10H10F3NO2 — CID 62810259

IUPAC2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid
SMILESCC(CNc1cc(F)cc(F)c1F)C(=O)O
InChIInChI=1S/C10H10F3NO2/c1-5(10(15)16)4-14-8-3-6(11)2-7(12)9(8)13/h2-3,5,14H,4H2,1H3,(H,15,16)
InChIKeyVFEGOEJQAQSFBE-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.24
Rot. Bonds4

About 2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid

2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid (PubChem CID 62810259) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid
PubChem CID62810259
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid
SMILESCC(CNc1cc(F)cc(F)c1F)C(=O)O
InChIInChI=1S/C10H10F3NO2/c1-5(10(15)16)4-14-8-3-6(11)2-7(12)9(8)13/h2-3,5,14H,4H2,1H3,(H,15,16)
InChIKeyVFEGOEJQAQSFBE-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-methyl-3-(2,3,5-trifluoroanilino)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-methyl-3-[(2,3,5-trifluorophenyl)carbamoylamino]propanoic acid
CID 62813246
2,3,5-trifluoro-N-(2-methylpropyl)aniline
CID 62811497
3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid
CID 107528138
3-(2,3,5-trifluoroanilino)butanoic acid
CID 62810258
(Z)-2-methyl-4-(2,3,5-trifluoroanilino)but-2-enoic acid
CID 103249627
(2R)-2-[(2,3,5-trifluorophenyl)carbamoylamino]pentanoic acid
CID 107566861
(2R)-3-methyl-2-[(2,3,5-trifluorophenyl)carbamoylamino]butanoic acid
CID 79009946
3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid
CID 107303273
tert-butyl 2-(2,3,5-trifluoroanilino)acetate
CID 55138442
3-(2-fluoro-4-nitroanilino)-2-methylpropanoic acid
CID 62675552
1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol
CID 62809910
2-methyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]propanoic acid
CID 115219286

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid?
The IUPAC name of 2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid (CID 62810259) is 2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid?
The canonical SMILES for 2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid is CC(CNc1cc(F)cc(F)c1F)C(=O)O.
What is the InChIKey of 2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid?
The InChIKey is VFEGOEJQAQSFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-5(10(15)16)4-14-8-3-6(11)2-7(12)9(8)13/h2-3,5,14H,4H2,1H3,(H,15,16).
What are the key properties of 2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid?
2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid has a molecular weight of 233.19 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid is sourced from PubChem (CID 62810259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).