3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one

C11H21NO4 — CID 81209141

IUPAC3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
SMILESCCOCCC(=O)N1CC(CO)OCC1C
InChIInChI=1S/C11H21NO4/c1-3-15-5-4-11(14)12-6-10(7-13)16-8-9(12)2/h9-10,13H,3-8H2,1-2H3
InChIKeyUSTRDEAOLFKFCM-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.02
Rot. Bonds5

About 3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one

3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one (PubChem CID 81209141) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
PubChem CID81209141
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
SMILESCCOCCC(=O)N1CC(CO)OCC1C
InChIInChI=1S/C11H21NO4/c1-3-15-5-4-11(14)12-6-10(7-13)16-8-9(12)2/h9-10,13H,3-8H2,1-2H3
InChIKeyUSTRDEAOLFKFCM-UHFFFAOYSA-N
XLogP0.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81208152
4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 81218189
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 81202762
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone
CID 81202861
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81203290
3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81196288
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487
N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide
CID 104887655
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 75394541
1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81211868

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one (CID 81209141) is 3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one is CCOCCC(=O)N1CC(CO)OCC1C.
What is the InChIKey of 3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one?
The InChIKey is USTRDEAOLFKFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-15-5-4-11(14)12-6-10(7-13)16-8-9(12)2/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one?
3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one has a molecular weight of 231.29 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 81209141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).