2-[cyclopropyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid

C12H11F3N2O4 — CID 60827036

IUPAC2-[cyclopropyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(C(F)(F)F)[nH]c1=O)C1CC1
InChIInChI=1S/C12H11F3N2O4/c13-12(14,15)8-4-3-7(10(20)16-8)11(21)17(5-9(18)19)6-1-2-6/h3-4,6H,1-2,5H2,(H,16,20)(H,18,19)
InChIKeyYBQAPMRGSVMLNG-UHFFFAOYSA-N
MW304.22 g/mol
LogP1.08
Rot. Bonds4

About 2-[cyclopropyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid

2-[cyclopropyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid (PubChem CID 60827036) has the molecular formula C12H11F3N2O4 and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid
PubChem CID60827036
Molecular FormulaC12H11F3N2O4
Molecular Weight304.22 g/mol
Exact Mass304.07
IUPAC Name2-[cyclopropyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(C(F)(F)F)[nH]c1=O)C1CC1
InChIInChI=1S/C12H11F3N2O4/c13-12(14,15)8-4-3-7(10(20)16-8)11(21)17(5-9(18)19)6-1-2-6/h3-4,6H,1-2,5H2,(H,16,20)(H,18,19)
InChIKeyYBQAPMRGSVMLNG-UHFFFAOYSA-N
XLogP1.08
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid (CID 60827036) is 2-[cyclopropyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid is O=C(O)CN(C(=O)c1ccc(C(F)(F)F)[nH]c1=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is YBQAPMRGSVMLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O4/c13-12(14,15)8-4-3-7(10(20)16-8)11(21)17(5-9(18)19)6-1-2-6/h3-4,6H,1-2,5H2,(H,16,20)(H,18,19).
What are the key properties of 2-[cyclopropyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid?
2-[cyclopropyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 304.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 60827036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).