ethyl 4-(2,6-dimethylmorpholin-4-yl)butanoate

C12H23NO3 — CID 13191868

IUPACethyl 4-(2,6-dimethylmorpholin-4-yl)butanoate
SMILESCCOC(=O)CCCN1CC(C)OC(C)C1
InChIInChI=1S/C12H23NO3/c1-4-15-12(14)6-5-7-13-8-10(2)16-11(3)9-13/h10-11H,4-9H2,1-3H3
InChIKeyIFPLEUPDCFQRIG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds5

About ethyl 4-(2,6-dimethylmorpholin-4-yl)butanoate

ethyl 4-(2,6-dimethylmorpholin-4-yl)butanoate (PubChem CID 13191868) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 4-(2,6-dimethylmorpholin-4-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(2,6-dimethylmorpholin-4-yl)butanoate
PubChem CID13191868
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 4-(2,6-dimethylmorpholin-4-yl)butanoate
SMILESCCOC(=O)CCCN1CC(C)OC(C)C1
InChIInChI=1S/C12H23NO3/c1-4-15-12(14)6-5-7-13-8-10(2)16-11(3)9-13/h10-11H,4-9H2,1-3H3
InChIKeyIFPLEUPDCFQRIG-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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 ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,6-dimethylmorpholin-4-yl)butanoate?
The IUPAC name of ethyl 4-(2,6-dimethylmorpholin-4-yl)butanoate (CID 13191868) is ethyl 4-(2,6-dimethylmorpholin-4-yl)butanoate.
What is the SMILES notation for ethyl 4-(2,6-dimethylmorpholin-4-yl)butanoate?
The canonical SMILES for ethyl 4-(2,6-dimethylmorpholin-4-yl)butanoate is CCOC(=O)CCCN1CC(C)OC(C)C1.
What is the InChIKey of ethyl 4-(2,6-dimethylmorpholin-4-yl)butanoate?
The InChIKey is IFPLEUPDCFQRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-15-12(14)6-5-7-13-8-10(2)16-11(3)9-13/h10-11H,4-9H2,1-3H3.
What are the key properties of ethyl 4-(2,6-dimethylmorpholin-4-yl)butanoate?
ethyl 4-(2,6-dimethylmorpholin-4-yl)butanoate has a molecular weight of 229.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,6-dimethylmorpholin-4-yl)butanoate is sourced from PubChem (CID 13191868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).