tert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate

C17H21F3N2O5 — CID 118496317

IUPACtert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@@]1(C)OCCN(c2cccc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C17H21F3N2O5/c1-15(2,3)27-13(24)12(23)16(4)14(25)22(8-9-26-16)11-7-5-6-10(21-11)17(18,19)20/h5-7,12,23H,8-9H2,1-4H3/t12-,16+/m0/s1
InChIKeyNAVQRGBPCDGECK-BLLLJJGKSA-N
MW390.36 g/mol
LogP1.92
Rot. Bonds3

About tert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate

tert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate (PubChem CID 118496317) has the molecular formula C17H21F3N2O5 and a molecular weight of 390.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate
PubChem CID118496317
Molecular FormulaC17H21F3N2O5
Molecular Weight390.36 g/mol
Exact Mass390.14
IUPAC Nametert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@@]1(C)OCCN(c2cccc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C17H21F3N2O5/c1-15(2,3)27-13(24)12(23)16(4)14(25)22(8-9-26-16)11-7-5-6-10(21-11)17(18,19)20/h5-7,12,23H,8-9H2,1-4H3/t12-,16+/m0/s1
InChIKeyNAVQRGBPCDGECK-BLLLJJGKSA-N
XLogP1.92
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate?
The IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate (CID 118496317) is tert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate.
What is the SMILES notation for tert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate?
The canonical SMILES for tert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate is CC(C)(C)OC(=O)[C@H](O)[C@@]1(C)OCCN(c2cccc(C(F)(F)F)n2)C1=O.
What is the InChIKey of tert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate?
The InChIKey is NAVQRGBPCDGECK-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H21F3N2O5/c1-15(2,3)27-13(24)12(23)16(4)14(25)22(8-9-26-16)11-7-5-6-10(21-11)17(18,19)20/h5-7,12,23H,8-9H2,1-4H3/t12-,16+/m0/s1.
What are the key properties of tert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate?
tert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate has a molecular weight of 390.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate is sourced from PubChem (CID 118496317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).