ethyl 2-morpholin-4-ylacetate

C8H15NO3 — CID 2734105

IUPACethyl 2-morpholin-4-ylacetate
SMILESCCOC(=O)CN1CCOCC1
InChIInChI=1S/C8H15NO3/c1-2-12-8(10)7-9-3-5-11-6-4-9/h2-7H2,1H3
InChIKeySITMDWHJQROIPF-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.12
Rot. Bonds3

About ethyl 2-morpholin-4-ylacetate

ethyl 2-morpholin-4-ylacetate (PubChem CID 2734105) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 2-morpholin-4-ylacetate.

Molecular Properties

Compound Nameethyl 2-morpholin-4-ylacetate
PubChem CID2734105
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 2-morpholin-4-ylacetate
SMILESCCOC(=O)CN1CCOCC1
InChIInChI=1S/C8H15NO3/c1-2-12-8(10)7-9-3-5-11-6-4-9/h2-7H2,1H3
InChIKeySITMDWHJQROIPF-UHFFFAOYSA-N
XLogP-0.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-ylacetate?
The IUPAC name of ethyl 2-morpholin-4-ylacetate (CID 2734105) is ethyl 2-morpholin-4-ylacetate.
What is the SMILES notation for ethyl 2-morpholin-4-ylacetate?
The canonical SMILES for ethyl 2-morpholin-4-ylacetate is CCOC(=O)CN1CCOCC1.
What is the InChIKey of ethyl 2-morpholin-4-ylacetate?
The InChIKey is SITMDWHJQROIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-12-8(10)7-9-3-5-11-6-4-9/h2-7H2,1H3.
What are the key properties of ethyl 2-morpholin-4-ylacetate?
ethyl 2-morpholin-4-ylacetate has a molecular weight of 173.21 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-ylacetate is sourced from PubChem (CID 2734105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).