3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propanoic acid

C24H26F3NO3 — CID 135390155

IUPAC3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propanoic acid
SMILESCN(CCC(=O)O)C1CCc2cccc(OC/C=C/c3ccc(C(F)(F)F)cc3)c2C1
InChIInChI=1S/C24H26F3NO3/c1-28(14-13-23(29)30)20-12-9-18-5-2-6-22(21(18)16-20)31-15-3-4-17-7-10-19(11-8-17)24(25,26)27/h2-8,10-11,20H,9,12-16H2,1H3,(H,29,30)/b4-3+
InChIKeyYKCPOPRIYNGPOV-ONEGZZNKSA-N
MW433.47 g/mol
LogP5.06
Rot. Bonds8

About 3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propanoic acid

3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propanoic acid (PubChem CID 135390155) has the molecular formula C24H26F3NO3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propanoic acid
PubChem CID135390155
Molecular FormulaC24H26F3NO3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propanoic acid
SMILESCN(CCC(=O)O)C1CCc2cccc(OC/C=C/c3ccc(C(F)(F)F)cc3)c2C1
InChIInChI=1S/C24H26F3NO3/c1-28(14-13-23(29)30)20-12-9-18-5-2-6-22(21(18)16-20)31-15-3-4-17-7-10-19(11-8-17)24(25,26)27/h2-8,10-11,20H,9,12-16H2,1H3,(H,29,30)/b4-3+
InChIKeyYKCPOPRIYNGPOV-ONEGZZNKSA-N
XLogP5.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]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

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propanoic acid (CID 135390155) is 3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propanoic acid is CN(CCC(=O)O)C1CCc2cccc(OC/C=C/c3ccc(C(F)(F)F)cc3)c2C1.
What is the InChIKey of 3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propanoic acid?
The InChIKey is YKCPOPRIYNGPOV-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H26F3NO3/c1-28(14-13-23(29)30)20-12-9-18-5-2-6-22(21(18)16-20)31-15-3-4-17-7-10-19(11-8-17)24(25,26)27/h2-8,10-11,20H,9,12-16H2,1H3,(H,29,30)/b4-3+.
What are the key properties of 3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propanoic acid?
3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propanoic acid has a molecular weight of 433.47 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[8-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propanoic acid is sourced from PubChem (CID 135390155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).