(3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione

C7H11NO3 — CID 93499117

IUPAC(3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione
SMILESCC[C@@H]1OC(=O)[C@H](C)NC1=O
InChIInChI=1S/C7H11NO3/c1-3-5-6(9)8-4(2)7(10)11-5/h4-5H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyFWDUTHRTUOVUGF-WHFBIAKZSA-N
MW157.17 g/mol
LogP-0.17
Rot. Bonds1

About (3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione

(3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione (PubChem CID 93499117) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione
PubChem CID93499117
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione
SMILESCC[C@@H]1OC(=O)[C@H](C)NC1=O
InChIInChI=1S/C7H11NO3/c1-3-5-6(9)8-4(2)7(10)11-5/h4-5H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyFWDUTHRTUOVUGF-WHFBIAKZSA-N
XLogP-0.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyloxiran-2-one
CID 21297762
5-ethyl-3-methyloxolane-2,4-dione
CID 77476558
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,15,27-trimethyl-6,9,18,30-tetrakis(2-methylpropyl)-12,21,24,33,36-penta(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
CID 177384799
5-ethyl-2-imino-1,3-oxazolidin-4-one
CID 152774400
3-[[methyl(propyl)amino]methyl]oxiran-2-one
CID 123308186
(3S,5R)-5-ethyl-3-prop-2-enyloxolane-2,4-dione
CID 10329699
2-ethyl-6-ethylsulfanyl-4H-1,4-benzoxazin-3-one
CID 82355428
2,5-diethyl-1,3-dioxane-4,6-dione
CID 162700878
8-chloro-2-ethyl-4H-1,4-benzoxazin-3-one
CID 75480493
2-ethyl-6-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82177336
3,6-dimethyl-1,4-dioxane-2,5-dione
CID 7272

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione?
The IUPAC name of (3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione (CID 93499117) is (3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione.
What is the SMILES notation for (3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione?
The canonical SMILES for (3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione is CC[C@@H]1OC(=O)[C@H](C)NC1=O.
What is the InChIKey of (3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione?
The InChIKey is FWDUTHRTUOVUGF-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-5-6(9)8-4(2)7(10)11-5/h4-5H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1.
What are the key properties of (3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione?
(3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione has a molecular weight of 157.17 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione is sourced from PubChem (CID 93499117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).