2-morpholin-4-ylethyl 4-oxopentanoate

C11H19NO4 — CID 21027211

IUPAC2-morpholin-4-ylethyl 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCCN1CCOCC1
InChIInChI=1S/C11H19NO4/c1-10(13)2-3-11(14)16-9-6-12-4-7-15-8-5-12/h2-9H2,1H3
InChIKeyHGNBOHKELIMSPI-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.23
Rot. Bonds6

About 2-morpholin-4-ylethyl 4-oxopentanoate

2-morpholin-4-ylethyl 4-oxopentanoate (PubChem CID 21027211) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 4-oxopentanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 4-oxopentanoate
PubChem CID21027211
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-morpholin-4-ylethyl 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCCN1CCOCC1
InChIInChI=1S/C11H19NO4/c1-10(13)2-3-11(14)16-9-6-12-4-7-15-8-5-12/h2-9H2,1H3
InChIKeyHGNBOHKELIMSPI-UHFFFAOYSA-N
XLogP0.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 4-oxopentanoate?
The IUPAC name of 2-morpholin-4-ylethyl 4-oxopentanoate (CID 21027211) is 2-morpholin-4-ylethyl 4-oxopentanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 4-oxopentanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 4-oxopentanoate is CC(=O)CCC(=O)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 4-oxopentanoate?
The InChIKey is HGNBOHKELIMSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(13)2-3-11(14)16-9-6-12-4-7-15-8-5-12/h2-9H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 4-oxopentanoate?
2-morpholin-4-ylethyl 4-oxopentanoate has a molecular weight of 229.28 g/mol, XLogP of 0.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 4-oxopentanoate is sourced from PubChem (CID 21027211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).