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

C17H20F3NO5 — CID 58181382

IUPACtert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C17H20F3NO5/c1-16(2,3)26-15(24)12(22)13-14(23)21(8-9-25-13)11-6-4-10(5-7-11)17(18,19)20/h4-7,12-13,22H,8-9H2,1-3H3/t12-,13-/m1/s1
InChIKeySYDCIAISMFZXHG-CHWSQXEVSA-N
MW375.34 g/mol
LogP2.14
Rot. Bonds3

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

tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetate (PubChem CID 58181382) has the molecular formula C17H20F3NO5 and a molecular weight of 375.34 g/mol. Its IUPAC name is tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetate
PubChem CID58181382
Molecular FormulaC17H20F3NO5
Molecular Weight375.34 g/mol
Exact Mass375.13
IUPAC Nametert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C17H20F3NO5/c1-16(2,3)26-15(24)12(22)13-14(23)21(8-9-25-13)11-6-4-10(5-7-11)17(18,19)20/h4-7,12-13,22H,8-9H2,1-3H3/t12-,13-/m1/s1
InChIKeySYDCIAISMFZXHG-CHWSQXEVSA-N
XLogP2.14
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]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)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetate?
The IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetate (CID 58181382) is tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetate.
What is the SMILES notation for tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetate?
The canonical SMILES for tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetate is CC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetate?
The InChIKey is SYDCIAISMFZXHG-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H20F3NO5/c1-16(2,3)26-15(24)12(22)13-14(23)21(8-9-25-13)11-6-4-10(5-7-11)17(18,19)20/h4-7,12-13,22H,8-9H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetate?
tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetate has a molecular weight of 375.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetate is sourced from PubChem (CID 58181382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).