ethyl 2-(3-morpholin-4-yloxolan-3-yl)acetate

C12H21NO4 — CID 64528968

IUPACethyl 2-(3-morpholin-4-yloxolan-3-yl)acetate
SMILESCCOC(=O)CC1(N2CCOCC2)CCOC1
InChIInChI=1S/C12H21NO4/c1-2-17-11(14)9-12(3-6-16-10-12)13-4-7-15-8-5-13/h2-10H2,1H3
InChIKeyVWICNYWHFAGIPF-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.43
Rot. Bonds4

About ethyl 2-(3-morpholin-4-yloxolan-3-yl)acetate

ethyl 2-(3-morpholin-4-yloxolan-3-yl)acetate (PubChem CID 64528968) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is ethyl 2-(3-morpholin-4-yloxolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-morpholin-4-yloxolan-3-yl)acetate
PubChem CID64528968
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nameethyl 2-(3-morpholin-4-yloxolan-3-yl)acetate
SMILESCCOC(=O)CC1(N2CCOCC2)CCOC1
InChIInChI=1S/C12H21NO4/c1-2-17-11(14)9-12(3-6-16-10-12)13-4-7-15-8-5-13/h2-10H2,1H3
InChIKeyVWICNYWHFAGIPF-UHFFFAOYSA-N
XLogP0.43
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-morpholin-4-yloxolan-3-yl)acetate?
The IUPAC name of ethyl 2-(3-morpholin-4-yloxolan-3-yl)acetate (CID 64528968) is ethyl 2-(3-morpholin-4-yloxolan-3-yl)acetate.
What is the SMILES notation for ethyl 2-(3-morpholin-4-yloxolan-3-yl)acetate?
The canonical SMILES for ethyl 2-(3-morpholin-4-yloxolan-3-yl)acetate is CCOC(=O)CC1(N2CCOCC2)CCOC1.
What is the InChIKey of ethyl 2-(3-morpholin-4-yloxolan-3-yl)acetate?
The InChIKey is VWICNYWHFAGIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-17-11(14)9-12(3-6-16-10-12)13-4-7-15-8-5-13/h2-10H2,1H3.
What are the key properties of ethyl 2-(3-morpholin-4-yloxolan-3-yl)acetate?
ethyl 2-(3-morpholin-4-yloxolan-3-yl)acetate has a molecular weight of 243.30 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-morpholin-4-yloxolan-3-yl)acetate is sourced from PubChem (CID 64528968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).