2-hydroxy-2-[2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid

C13H13F3N2O5 — CID 90317737

IUPAC2-hydroxy-2-[2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid
SMILESCC1(C(O)C(=O)O)OCCN(c2cccc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C13H13F3N2O5/c1-12(9(19)10(20)21)11(22)18(5-6-23-12)8-4-2-3-7(17-8)13(14,15)16/h2-4,9,19H,5-6H2,1H3,(H,20,21)
InChIKeyIFABFPBNIKXDME-UHFFFAOYSA-N
MW334.25 g/mol
LogP0.67
Rot. Bonds3

About 2-hydroxy-2-[2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid

2-hydroxy-2-[2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid (PubChem CID 90317737) has the molecular formula C13H13F3N2O5 and a molecular weight of 334.25 g/mol. Its IUPAC name is 2-hydroxy-2-[2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid
PubChem CID90317737
Molecular FormulaC13H13F3N2O5
Molecular Weight334.25 g/mol
Exact Mass334.08
IUPAC Name2-hydroxy-2-[2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid
SMILESCC1(C(O)C(=O)O)OCCN(c2cccc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C13H13F3N2O5/c1-12(9(19)10(20)21)11(22)18(5-6-23-12)8-4-2-3-7(17-8)13(14,15)16/h2-4,9,19H,5-6H2,1H3,(H,20,21)
InChIKeyIFABFPBNIKXDME-UHFFFAOYSA-N
XLogP0.67
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-hydroxy-2-[2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid (CID 90317737) is 2-hydroxy-2-[2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid is CC1(C(O)C(=O)O)OCCN(c2cccc(C(F)(F)F)n2)C1=O.
What is the InChIKey of 2-hydroxy-2-[2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
The InChIKey is IFABFPBNIKXDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O5/c1-12(9(19)10(20)21)11(22)18(5-6-23-12)8-4-2-3-7(17-8)13(14,15)16/h2-4,9,19H,5-6H2,1H3,(H,20,21).
What are the key properties of 2-hydroxy-2-[2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
2-hydroxy-2-[2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid has a molecular weight of 334.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 90317737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).