tert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate

C15H19NO4 — CID 10945746

IUPACtert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C15H19NO4/c1-15(2,3)20-14(18)16-9-13(17)19-10-12(16)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m1/s1
InChIKeyCZACTLXFENUALF-GFCCVEGCSA-N
MW277.32 g/mol
LogP2.52
Rot. Bonds1

About tert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate

tert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate (PubChem CID 10945746) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is tert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate
PubChem CID10945746
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nametert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C15H19NO4/c1-15(2,3)20-14(18)16-9-13(17)19-10-12(16)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m1/s1
InChIKeyCZACTLXFENUALF-GFCCVEGCSA-N
XLogP2.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (5S)-2-oxo-5-phenylmorpholine-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 (5S)-2-oxo-5-phenylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate (CID 10945746) is tert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate is CC(C)(C)OC(=O)N1CC(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of tert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate?
The InChIKey is CZACTLXFENUALF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2,3)20-14(18)16-9-13(17)19-10-12(16)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of tert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate?
tert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate is sourced from PubChem (CID 10945746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).