2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid

C14H15F3N2O4 — CID 166313126

IUPAC2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCOCC1)c1ncccc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)9-2-1-5-18-11(9)12(20)19-10(13(21)22)8-3-6-23-7-4-8/h1-2,5,8,10H,3-4,6-7H2,(H,19,20)(H,21,22)
InChIKeySWZFBZMMASDANV-UHFFFAOYSA-N
MW332.28 g/mol
LogP1.71
Rot. Bonds4

About 2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid

2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid (PubChem CID 166313126) has the molecular formula C14H15F3N2O4 and a molecular weight of 332.28 g/mol. Its IUPAC name is 2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
PubChem CID166313126
Molecular FormulaC14H15F3N2O4
Molecular Weight332.28 g/mol
Exact Mass332.10
IUPAC Name2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCOCC1)c1ncccc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)9-2-1-5-18-11(9)12(20)19-10(13(21)22)8-3-6-23-7-4-8/h1-2,5,8,10H,3-4,6-7H2,(H,19,20)(H,21,22)
InChIKeySWZFBZMMASDANV-UHFFFAOYSA-N
XLogP1.71
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid (CID 166313126) is 2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid is O=C(NC(C(=O)O)C1CCOCC1)c1ncccc1C(F)(F)F.
What is the InChIKey of 2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is SWZFBZMMASDANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O4/c15-14(16,17)9-2-1-5-18-11(9)12(20)19-10(13(21)22)8-3-6-23-7-4-8/h1-2,5,8,10H,3-4,6-7H2,(H,19,20)(H,21,22).
What are the key properties of 2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid?
2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 332.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 166313126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).