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

C10H9F3N2O4 — CID 43354741

IUPAC3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)6-2-1-5(9(19)15-6)8(18)14-4-3-7(16)17/h1-2H,3-4H2,(H,14,18)(H,15,19)(H,16,17)
InChIKeyRAUWEFKNOSLRDC-UHFFFAOYSA-N
MW278.19 g/mol
LogP0.60
Rot. Bonds4

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

3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 43354741) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
PubChem CID43354741
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)6-2-1-5(9(19)15-6)8(18)14-4-3-7(16)17/h1-2H,3-4H2,(H,14,18)(H,15,19)(H,16,17)
InChIKeyRAUWEFKNOSLRDC-UHFFFAOYSA-N
XLogP0.60
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid (CID 43354741) is 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is RAUWEFKNOSLRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O4/c11-10(12,13)6-2-1-5(9(19)15-6)8(18)14-4-3-7(16)17/h1-2H,3-4H2,(H,14,18)(H,15,19)(H,16,17).
What are the key properties of 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 278.19 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 43354741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).