(2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one

C14H19NO2 — CID 69328798

IUPAC(2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one
SMILESCC(C)(C)[C@@H]1O[C@H](c2ccccc2)CNC1=O
InChIInChI=1S/C14H19NO2/c1-14(2,3)12-13(16)15-9-11(17-12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)/t11-,12+/m0/s1
InChIKeyUWTWLKLGTQMODG-NWDGAFQWSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds1

About (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one

(2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one (PubChem CID 69328798) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one.

Molecular Properties

Compound Name(2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one
PubChem CID69328798
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one
SMILESCC(C)(C)[C@@H]1O[C@H](c2ccccc2)CNC1=O
InChIInChI=1S/C14H19NO2/c1-14(2,3)12-13(16)15-9-11(17-12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)/t11-,12+/m0/s1
InChIKeyUWTWLKLGTQMODG-NWDGAFQWSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one?
The IUPAC name of (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one (CID 69328798) is (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one.
What is the SMILES notation for (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one?
The canonical SMILES for (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one is CC(C)(C)[C@@H]1O[C@H](c2ccccc2)CNC1=O.
What is the InChIKey of (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one?
The InChIKey is UWTWLKLGTQMODG-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)12-13(16)15-9-11(17-12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)/t11-,12+/m0/s1.
What are the key properties of (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one?
(2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one has a molecular weight of 233.31 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one is sourced from PubChem (CID 69328798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).