(6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione

C13H15NO3 — CID 139058219

IUPAC(6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione
SMILESCC1(C)NC(=O)[C@H](Cc2ccccc2)OC1=O
InChIInChI=1S/C13H15NO3/c1-13(2)12(16)17-10(11(15)14-13)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyMLWWXEYVJQPJQZ-JTQLQIEISA-N
MW233.27 g/mol
LogP1.05
Rot. Bonds2

About (6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione

(6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione (PubChem CID 139058219) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione.

Molecular Properties

Compound Name(6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione
PubChem CID139058219
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione
SMILESCC1(C)NC(=O)[C@H](Cc2ccccc2)OC1=O
InChIInChI=1S/C13H15NO3/c1-13(2)12(16)17-10(11(15)14-13)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyMLWWXEYVJQPJQZ-JTQLQIEISA-N
XLogP1.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-6-benzyl-3,3-dimethylmorpholine-2,5-dithione
CID 139058221
(3S,5S)-5-benzyl-3-methyl-3-prop-2-enyloxolane-2,4-dione
CID 14636618
6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione
CID 64902180
3-benzyl-6-methyl-1,4-dioxane-2,5-dione
CID 23504963
6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64901986
(2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one
CID 66931472
(1R,4R,5S)-4-benzyl-1-[(1S)-1-hydroxy-2-methylpropyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 10589506
15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione
CID 583119
(5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one
CID 101208884
(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
CID 165148051
1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64873816
6-benzyl-3,3-dimethylpiperazin-2-one
CID 91187776

Frequently Asked Questions

What is the IUPAC name of (6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione?
The IUPAC name of (6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione (CID 139058219) is (6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione.
What is the SMILES notation for (6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione?
The canonical SMILES for (6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione is CC1(C)NC(=O)[C@H](Cc2ccccc2)OC1=O.
What is the InChIKey of (6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione?
The InChIKey is MLWWXEYVJQPJQZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15NO3/c1-13(2)12(16)17-10(11(15)14-13)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione?
(6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione is sourced from PubChem (CID 139058219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).