2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide

C8H14N2O3 — CID 7629072

IUPAC2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide
SMILESCC[C@@H]1OCCN(CC(N)=O)C1=O
InChIInChI=1S/C8H14N2O3/c1-2-6-8(12)10(3-4-13-6)5-7(9)11/h6H,2-5H2,1H3,(H2,9,11)/t6-/m0/s1
InChIKeyVEVBFQOACSXDAR-LURJTMIESA-N
MW186.21 g/mol
LogP-0.89
Rot. Bonds3

About 2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide

2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide (PubChem CID 7629072) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide
PubChem CID7629072
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide
SMILESCC[C@@H]1OCCN(CC(N)=O)C1=O
InChIInChI=1S/C8H14N2O3/c1-2-6-8(12)10(3-4-13-6)5-7(9)11/h6H,2-5H2,1H3,(H2,9,11)/t6-/m0/s1
InChIKeyVEVBFQOACSXDAR-LURJTMIESA-N
XLogP-0.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide?
The IUPAC name of 2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide (CID 7629072) is 2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide is CC[C@@H]1OCCN(CC(N)=O)C1=O.
What is the InChIKey of 2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide?
The InChIKey is VEVBFQOACSXDAR-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-6-8(12)10(3-4-13-6)5-7(9)11/h6H,2-5H2,1H3,(H2,9,11)/t6-/m0/s1.
What are the key properties of 2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide?
2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide has a molecular weight of 186.21 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide is sourced from PubChem (CID 7629072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).