4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione

C11H19NO4 — CID 106253810

IUPAC4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione
SMILESCCC(CC)(CO)CN1C(=O)COCC1=O
InChIInChI=1S/C11H19NO4/c1-3-11(4-2,8-13)7-12-9(14)5-16-6-10(12)15/h13H,3-8H2,1-2H3
InChIKeyNCYQLCDLNWSTPP-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.17
Rot. Bonds5

About 4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione

4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione (PubChem CID 106253810) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione
PubChem CID106253810
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione
SMILESCCC(CC)(CO)CN1C(=O)COCC1=O
InChIInChI=1S/C11H19NO4/c1-3-11(4-2,8-13)7-12-9(14)5-16-6-10(12)15/h13H,3-8H2,1-2H3
InChIKeyNCYQLCDLNWSTPP-UHFFFAOYSA-N
XLogP0.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione?
The IUPAC name of 4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione (CID 106253810) is 4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione?
The canonical SMILES for 4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione is CCC(CC)(CO)CN1C(=O)COCC1=O.
What is the InChIKey of 4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione?
The InChIKey is NCYQLCDLNWSTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-11(4-2,8-13)7-12-9(14)5-16-6-10(12)15/h13H,3-8H2,1-2H3.
What are the key properties of 4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione?
4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione has a molecular weight of 229.28 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione is sourced from PubChem (CID 106253810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).