(2-morpholin-4-yl-2-oxoethyl) acetate

C8H13NO4 — CID 531940

IUPAC(2-morpholin-4-yl-2-oxoethyl) acetate
SMILESCC(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C8H13NO4/c1-7(10)13-6-8(11)9-2-4-12-5-3-9/h2-6H2,1H3
InChIKeyZOEMPWSIKOJFAH-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.59
Rot. Bonds2

About (2-morpholin-4-yl-2-oxoethyl) acetate

(2-morpholin-4-yl-2-oxoethyl) acetate (PubChem CID 531940) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) acetate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) acetate
PubChem CID531940
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) acetate
SMILESCC(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C8H13NO4/c1-7(10)13-6-8(11)9-2-4-12-5-3-9/h2-6H2,1H3
InChIKeyZOEMPWSIKOJFAH-UHFFFAOYSA-N
XLogP-0.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) acetate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) acetate (CID 531940) is (2-morpholin-4-yl-2-oxoethyl) acetate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) acetate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) acetate is CC(=O)OCC(=O)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) acetate?
The InChIKey is ZOEMPWSIKOJFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-7(10)13-6-8(11)9-2-4-12-5-3-9/h2-6H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) acetate?
(2-morpholin-4-yl-2-oxoethyl) acetate has a molecular weight of 187.19 g/mol, XLogP of -0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) acetate is sourced from PubChem (CID 531940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).