ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate

C13H23NO4 — CID 64528602

IUPACethyl 2-(4-morpholin-4-yloxan-4-yl)acetate
SMILESCCOC(=O)CC1(N2CCOCC2)CCOCC1
InChIInChI=1S/C13H23NO4/c1-2-18-12(15)11-13(3-7-16-8-4-13)14-5-9-17-10-6-14/h2-11H2,1H3
InChIKeyOYCNHKAEFDDPIJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.82
Rot. Bonds4

About ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate

ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate (PubChem CID 64528602) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-morpholin-4-yloxan-4-yl)acetate
PubChem CID64528602
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl 2-(4-morpholin-4-yloxan-4-yl)acetate
SMILESCCOC(=O)CC1(N2CCOCC2)CCOCC1
InChIInChI=1S/C13H23NO4/c1-2-18-12(15)11-13(3-7-16-8-4-13)14-5-9-17-10-6-14/h2-11H2,1H3
InChIKeyOYCNHKAEFDDPIJ-UHFFFAOYSA-N
XLogP0.82
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate
CID 64539283
ethyl 2-(4-aminooxan-4-yl)acetate
CID 79002083
ethyl 2-[3-(azepan-1-yl)oxan-3-yl]acetate
CID 64528384
ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate
CID 114820573
ethyl 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 65421003
ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate
CID 64526459
ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate
CID 106664180
ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate
CID 65422517
ethyl 2-(3-pyrrolidin-1-ylthiolan-3-yl)acetate
CID 64529167
ethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate
CID 71309772
2-(1-morpholin-4-ylcycloheptyl)acetic acid
CID 64527342
ethyl 2-[4-(methylamino)oxepan-4-yl]acetate
CID 65236733

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate?
The IUPAC name of ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate (CID 64528602) is ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate.
What is the SMILES notation for ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate?
The canonical SMILES for ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate is CCOC(=O)CC1(N2CCOCC2)CCOCC1.
What is the InChIKey of ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate?
The InChIKey is OYCNHKAEFDDPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-2-18-12(15)11-13(3-7-16-8-4-13)14-5-9-17-10-6-14/h2-11H2,1H3.
What are the key properties of ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate?
ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate has a molecular weight of 257.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate is sourced from PubChem (CID 64528602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).