3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one

C12H23NO3 — CID 97108993

IUPAC3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one
SMILESCCOCCC(=O)N1C[C@H](C)OCC1(C)C
InChIInChI=1S/C12H23NO3/c1-5-15-7-6-11(14)13-8-10(2)16-9-12(13,3)4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyZZPXUFPALQYRKL-JTQLQIEISA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds4

About 3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one

3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one (PubChem CID 97108993) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one
PubChem CID97108993
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one
SMILESCCOCCC(=O)N1C[C@H](C)OCC1(C)C
InChIInChI=1S/C12H23NO3/c1-5-15-7-6-11(14)13-8-10(2)16-9-12(13,3)4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyZZPXUFPALQYRKL-JTQLQIEISA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one (CID 97108993) is 3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one is CCOCCC(=O)N1C[C@H](C)OCC1(C)C.
What is the InChIKey of 3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one?
The InChIKey is ZZPXUFPALQYRKL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-15-7-6-11(14)13-8-10(2)16-9-12(13,3)4/h10H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of 3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one?
3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one has a molecular weight of 229.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 97108993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).