3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid

C17H15F3N2O4 — CID 3957823

IUPAC3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H15F3N2O4/c18-17(19,20)26-13-8-6-12(7-9-13)21-16(25)22-14(15(23)24)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,23,24)(H2,21,22,25)
InChIKeyGAADLCAGWAYSGH-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.40
Rot. Bonds6

About 3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid

3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid (PubChem CID 3957823) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is 3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
PubChem CID3957823
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Name3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H15F3N2O4/c18-17(19,20)26-13-8-6-12(7-9-13)21-16(25)22-14(15(23)24)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,23,24)(H2,21,22,25)
InChIKeyGAADLCAGWAYSGH-UHFFFAOYSA-N
XLogP3.40
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]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-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid?
The IUPAC name of 3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid (CID 3957823) is 3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid is O=C(Nc1ccc(OC(F)(F)F)cc1)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid?
The InChIKey is GAADLCAGWAYSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c18-17(19,20)26-13-8-6-12(7-9-13)21-16(25)22-14(15(23)24)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,23,24)(H2,21,22,25).
What are the key properties of 3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid?
3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid has a molecular weight of 368.31 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 3957823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).