methyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate

C11H11F3N2O5 — CID 43409718

IUPACmethyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H11F3N2O5/c1-21-10(20)6(4-17)15-8(18)5-2-3-7(11(12,13)14)16-9(5)19/h2-3,6,17H,4H2,1H3,(H,15,18)(H,16,19)
InChIKeyFIRAXHGMOMBYTL-UHFFFAOYSA-N
MW308.21 g/mol
LogP-0.34
Rot. Bonds4

About methyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate

methyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate (PubChem CID 43409718) has the molecular formula C11H11F3N2O5 and a molecular weight of 308.21 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate
PubChem CID43409718
Molecular FormulaC11H11F3N2O5
Molecular Weight308.21 g/mol
Exact Mass308.06
IUPAC Namemethyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H11F3N2O5/c1-21-10(20)6(4-17)15-8(18)5-2-3-7(11(12,13)14)16-9(5)19/h2-3,6,17H,4H2,1H3,(H,15,18)(H,16,19)
InChIKeyFIRAXHGMOMBYTL-UHFFFAOYSA-N
XLogP-0.34
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate (CID 43409718) is methyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate is COC(=O)C(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of methyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate?
The InChIKey is FIRAXHGMOMBYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O5/c1-21-10(20)6(4-17)15-8(18)5-2-3-7(11(12,13)14)16-9(5)19/h2-3,6,17H,4H2,1H3,(H,15,18)(H,16,19).
What are the key properties of methyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate?
methyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate has a molecular weight of 308.21 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 43409718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).