(2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid

C11H11F3N2O3 — CID 97108044

IUPAC(2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(c2cc(C(F)(F)F)ccn2)CCO1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)7-1-2-15-9(5-7)16-3-4-19-8(6-16)10(17)18/h1-2,5,8H,3-4,6H2,(H,17,18)/t8-/m0/s1
InChIKeyOWDJAYYCTCTEIV-QMMMGPOBSA-N
MW276.21 g/mol
LogP1.39
Rot. Bonds2

About (2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid

(2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid (PubChem CID 97108044) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is (2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid
PubChem CID97108044
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name(2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(c2cc(C(F)(F)F)ccn2)CCO1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)7-1-2-15-9(5-7)16-3-4-19-8(6-16)10(17)18/h1-2,5,8H,3-4,6H2,(H,17,18)/t8-/m0/s1
InChIKeyOWDJAYYCTCTEIV-QMMMGPOBSA-N
XLogP1.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid (CID 97108044) is (2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(c2cc(C(F)(F)F)ccn2)CCO1.
What is the InChIKey of (2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid?
The InChIKey is OWDJAYYCTCTEIV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)7-1-2-15-9(5-7)16-3-4-19-8(6-16)10(17)18/h1-2,5,8H,3-4,6H2,(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid?
(2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid has a molecular weight of 276.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 97108044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).