methyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate

C13H23NO5 — CID 113331025

IUPACmethyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CCOC2CCCCO2)CCO1
InChIInChI=1S/C13H23NO5/c1-16-13(15)11-10-14(5-8-17-11)6-9-19-12-4-2-3-7-18-12/h11-12H,2-10H2,1H3
InChIKeyDTBLDANMCVOTIF-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.40
Rot. Bonds5

About methyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate

methyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate (PubChem CID 113331025) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate
PubChem CID113331025
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Namemethyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CCOC2CCCCO2)CCO1
InChIInChI=1S/C13H23NO5/c1-16-13(15)11-10-14(5-8-17-11)6-9-19-12-4-2-3-7-18-12/h11-12H,2-10H2,1H3
InChIKeyDTBLDANMCVOTIF-UHFFFAOYSA-N
XLogP0.40
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate (CID 113331025) is methyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate is COC(=O)C1CN(CCOC2CCCCO2)CCO1.
What is the InChIKey of methyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate?
The InChIKey is DTBLDANMCVOTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-16-13(15)11-10-14(5-8-17-11)6-9-19-12-4-2-3-7-18-12/h11-12H,2-10H2,1H3.
What are the key properties of methyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate?
methyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate is sourced from PubChem (CID 113331025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).