tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate

C21H23NO4 — CID 981230

IUPACtert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-14-17(23)25-19(16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,18-19H,14H2,1-3H3/t18-,19+/m0/s1
InChIKeyMRUKRSQUUNYOFK-RBUKOAKNSA-N
MW353.42 g/mol
LogP4.26
Rot. Bonds2

About tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate

tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate (PubChem CID 981230) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
PubChem CID981230
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Nametert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-14-17(23)25-19(16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,18-19H,14H2,1-3H3/t18-,19+/m0/s1
InChIKeyMRUKRSQUUNYOFK-RBUKOAKNSA-N
XLogP4.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate 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,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate (CID 981230) is tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate is CC(C)(C)OC(=O)N1CC(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate?
The InChIKey is MRUKRSQUUNYOFK-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-14-17(23)25-19(16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,18-19H,14H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate?
tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate is sourced from PubChem (CID 981230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).