2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid

C16H13F3N2O3 — CID 167810033

IUPAC2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1ccc(C(F)(F)F)cn1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H13F3N2O3/c1-15(14(23)24,10-5-3-2-4-6-10)21-13(22)12-8-7-11(9-20-12)16(17,18)19/h2-9H,1H3,(H,21,22)(H,23,24)
InChIKeyLTOVHVBLAIHGCB-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.83
Rot. Bonds4

About 2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid

2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 167810033) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
PubChem CID167810033
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Name2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1ccc(C(F)(F)F)cn1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H13F3N2O3/c1-15(14(23)24,10-5-3-2-4-6-10)21-13(22)12-8-7-11(9-20-12)16(17,18)19/h2-9H,1H3,(H,21,22)(H,23,24)
InChIKeyLTOVHVBLAIHGCB-UHFFFAOYSA-N
XLogP2.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid (CID 167810033) is 2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid is CC(NC(=O)c1ccc(C(F)(F)F)cn1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is LTOVHVBLAIHGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-15(14(23)24,10-5-3-2-4-6-10)21-13(22)12-8-7-11(9-20-12)16(17,18)19/h2-9H,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid?
2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid has a molecular weight of 338.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 167810033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).