[(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate

C8H12N2O4 — CID 71408042

IUPAC[(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate
SMILESCC[C@@H]1NC(=O)NC(=O)[C@H]1OC(C)=O
InChIInChI=1S/C8H12N2O4/c1-3-5-6(14-4(2)11)7(12)10-8(13)9-5/h5-6H,3H2,1-2H3,(H2,9,10,12,13)/t5-,6-/m0/s1
InChIKeyMPHJMLJYDGLEMC-WDSKDSINSA-N
MW200.19 g/mol
LogP-0.46
Rot. Bonds2

About [(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate

[(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate (PubChem CID 71408042) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is [(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate.

Molecular Properties

Compound Name[(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate
PubChem CID71408042
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name[(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate
SMILESCC[C@@H]1NC(=O)NC(=O)[C@H]1OC(C)=O
InChIInChI=1S/C8H12N2O4/c1-3-5-6(14-4(2)11)7(12)10-8(13)9-5/h5-6H,3H2,1-2H3,(H2,9,10,12,13)/t5-,6-/m0/s1
InChIKeyMPHJMLJYDGLEMC-WDSKDSINSA-N
XLogP-0.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate
CID 12512972
(2-oxo-4-propan-2-ylazetidin-3-yl) acetate
CID 22382233
4-ethyl-5-hydroxyimidazolidin-2-one
CID 154527344
[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate
CID 59991126
ethane;5-ethyl-1,3-diazinane-2,4,6-trione
CID 142836832
4-ethyl-5-methylimidazolidin-2-one
CID 22042260
[(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate
CID 134863514
[(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate
CID 15428308
[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate
CID 59064357
5-ethoxy-1,3-diazinane-2,4,6-trione
CID 165356464
(3S,4R)-3-acetyl-4-(butoxymethyl)azetidin-2-one
CID 122625931
[(2R,3S)-2-(4-cyanophenyl)-4-oxoazetidin-3-yl] acetate
CID 122372048

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate?
The IUPAC name of [(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate (CID 71408042) is [(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate.
What is the SMILES notation for [(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate?
The canonical SMILES for [(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate is CC[C@@H]1NC(=O)NC(=O)[C@H]1OC(C)=O.
What is the InChIKey of [(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate?
The InChIKey is MPHJMLJYDGLEMC-WDSKDSINSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-3-5-6(14-4(2)11)7(12)10-8(13)9-5/h5-6H,3H2,1-2H3,(H2,9,10,12,13)/t5-,6-/m0/s1.
What are the key properties of [(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate?
[(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate has a molecular weight of 200.19 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate is sourced from PubChem (CID 71408042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).