methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate

C13H24N2O4 — CID 79822697

IUPACmethyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCN2CCOCC2)CCO1
InChIInChI=1S/C13H24N2O4/c1-17-13(16)10-12-11-15(6-9-19-12)3-2-14-4-7-18-8-5-14/h12H,2-11H2,1H3
InChIKeyGKBNRIXFJSLOHW-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.42
Rot. Bonds5

About methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate

methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate (PubChem CID 79822697) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
PubChem CID79822697
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namemethyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCN2CCOCC2)CCO1
InChIInChI=1S/C13H24N2O4/c1-17-13(16)10-12-11-15(6-9-19-12)3-2-14-4-7-18-8-5-14/h12H,2-11H2,1H3
InChIKeyGKBNRIXFJSLOHW-UHFFFAOYSA-N
XLogP-0.42
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate
CID 79823228
methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
CID 115533916
methyl 2-(4-pent-4-ynylmorpholin-2-yl)acetate
CID 112548455
methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate
CID 79822188
methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate
CID 113331103
methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate
CID 79823047
methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate
CID 79823416
ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate
CID 79827518
methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate
CID 115873221
methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
CID 114398668
methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate
CID 79822869
methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate
CID 79827517

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate (CID 79822697) is methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate is COC(=O)CC1CN(CCN2CCOCC2)CCO1.
What is the InChIKey of methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate?
The InChIKey is GKBNRIXFJSLOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-17-13(16)10-12-11-15(6-9-19-12)3-2-14-4-7-18-8-5-14/h12H,2-11H2,1H3.
What are the key properties of methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate?
methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate has a molecular weight of 272.34 g/mol, XLogP of -0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79822697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).