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

C13H13F3N2O6 — CID 118496186

IUPAC2-hydroxy-2-[2-(hydroxymethyl)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C(O)C1(CO)OCCN(c2cccc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C13H13F3N2O6/c14-13(15,16)7-2-1-3-8(17-7)18-4-5-24-12(6-19,11(18)23)9(20)10(21)22/h1-3,9,19-20H,4-6H2,(H,21,22)
InChIKeyYVYKCLAWQBONFJ-UHFFFAOYSA-N
MW350.25 g/mol
LogP-0.36
Rot. Bonds4

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

2-hydroxy-2-[2-(hydroxymethyl)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid (PubChem CID 118496186) has the molecular formula C13H13F3N2O6 and a molecular weight of 350.25 g/mol. Its IUPAC name is 2-hydroxy-2-[2-(hydroxymethyl)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[2-(hydroxymethyl)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid
PubChem CID118496186
Molecular FormulaC13H13F3N2O6
Molecular Weight350.25 g/mol
Exact Mass350.07
IUPAC Name2-hydroxy-2-[2-(hydroxymethyl)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C(O)C1(CO)OCCN(c2cccc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C13H13F3N2O6/c14-13(15,16)7-2-1-3-8(17-7)18-4-5-24-12(6-19,11(18)23)9(20)10(21)22/h1-3,9,19-20H,4-6H2,(H,21,22)
InChIKeyYVYKCLAWQBONFJ-UHFFFAOYSA-N
XLogP-0.36
TPSA120.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-(hydroxymethyl)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-hydroxy-2-[2-(hydroxymethyl)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid (CID 118496186) is 2-hydroxy-2-[2-(hydroxymethyl)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[2-(hydroxymethyl)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[2-(hydroxymethyl)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid is O=C(O)C(O)C1(CO)OCCN(c2cccc(C(F)(F)F)n2)C1=O.
What is the InChIKey of 2-hydroxy-2-[2-(hydroxymethyl)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
The InChIKey is YVYKCLAWQBONFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O6/c14-13(15,16)7-2-1-3-8(17-7)18-4-5-24-12(6-19,11(18)23)9(20)10(21)22/h1-3,9,19-20H,4-6H2,(H,21,22).
What are the key properties of 2-hydroxy-2-[2-(hydroxymethyl)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
2-hydroxy-2-[2-(hydroxymethyl)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid has a molecular weight of 350.25 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-(hydroxymethyl)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 118496186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).