propanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate

C16H17F3N2O6 — CID 90239008

IUPACpropanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate
SMILESCCC(=O)OC(=O)C(C)(O)C1OCCN(c2cccc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C16H17F3N2O6/c1-3-11(22)27-14(24)15(2,25)12-13(23)21(7-8-26-12)10-6-4-5-9(20-10)16(17,18)19/h4-6,12,25H,3,7-8H2,1-2H3
InChIKeySRPAIVVDTHTKOS-UHFFFAOYSA-N
MW390.31 g/mol
LogP1.06
Rot. Bonds4

About propanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate

propanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate (PubChem CID 90239008) has the molecular formula C16H17F3N2O6 and a molecular weight of 390.31 g/mol. Its IUPAC name is propanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate.

Molecular Properties

Compound Namepropanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate
PubChem CID90239008
Molecular FormulaC16H17F3N2O6
Molecular Weight390.31 g/mol
Exact Mass390.10
IUPAC Namepropanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate
SMILESCCC(=O)OC(=O)C(C)(O)C1OCCN(c2cccc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C16H17F3N2O6/c1-3-11(22)27-14(24)15(2,25)12-13(23)21(7-8-26-12)10-6-4-5-9(20-10)16(17,18)19/h4-6,12,25H,3,7-8H2,1-2H3
InChIKeySRPAIVVDTHTKOS-UHFFFAOYSA-N
XLogP1.06
TPSA106.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate?
The IUPAC name of propanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate (CID 90239008) is propanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate.
What is the SMILES notation for propanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate?
The canonical SMILES for propanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate is CCC(=O)OC(=O)C(C)(O)C1OCCN(c2cccc(C(F)(F)F)n2)C1=O.
What is the InChIKey of propanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate?
The InChIKey is SRPAIVVDTHTKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O6/c1-3-11(22)27-14(24)15(2,25)12-13(23)21(7-8-26-12)10-6-4-5-9(20-10)16(17,18)19/h4-6,12,25H,3,7-8H2,1-2H3.
What are the key properties of propanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate?
propanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate has a molecular weight of 390.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propanoyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propanoate is sourced from PubChem (CID 90239008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).