2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid

C13H16F3NO2 — CID 133150394

IUPAC2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid
SMILESCCCN(c1cccc(C(F)(F)F)c1)C(C)C(=O)O
InChIInChI=1S/C13H16F3NO2/c1-3-7-17(9(2)12(18)19)11-6-4-5-10(8-11)13(14,15)16/h4-6,8-9H,3,7H2,1-2H3,(H,18,19)
InChIKeyCVCSUSYVKFXNFY-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.39
Rot. Bonds5

About 2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid

2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid (PubChem CID 133150394) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid.

Molecular Properties

Compound Name2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid
PubChem CID133150394
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid
SMILESCCCN(c1cccc(C(F)(F)F)c1)C(C)C(=O)O
InChIInChI=1S/C13H16F3NO2/c1-3-7-17(9(2)12(18)19)11-6-4-5-10(8-11)13(14,15)16/h4-6,8-9H,3,7H2,1-2H3,(H,18,19)
InChIKeyCVCSUSYVKFXNFY-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[N-propyl-3-(trifluoromethyl)anilino]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

(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]propanoic acid
CID 100520412
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]butanoic acid
CID 100520434
2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
CID 83561847
2-[N-(2-carboxyethyl)-3-fluoroanilino]propanoic acid
CID 82317163
3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N,N-dipropylpropanamide
CID 113145264
2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propanoic acid
CID 62638705
2-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 107736740
2-[formyl(propyl)amino]-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 63690009
propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 140972623
(2R)-2-(4-methoxy-N-propylanilino)propanoic acid
CID 125045208
2-methyl-3-[N-propyl-4-(trifluoromethyl)anilino]propanoic acid
CID 82317921
ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 66804011

Frequently Asked Questions

What is the IUPAC name of 2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid?
The IUPAC name of 2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid (CID 133150394) is 2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid.
What is the SMILES notation for 2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid?
The canonical SMILES for 2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid is CCCN(c1cccc(C(F)(F)F)c1)C(C)C(=O)O.
What is the InChIKey of 2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid?
The InChIKey is CVCSUSYVKFXNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-3-7-17(9(2)12(18)19)11-6-4-5-10(8-11)13(14,15)16/h4-6,8-9H,3,7H2,1-2H3,(H,18,19).
What are the key properties of 2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid?
2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid has a molecular weight of 275.27 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid is sourced from PubChem (CID 133150394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).