ethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate

C13H21NO5 — CID 165477067

IUPACethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate
SMILESCCOC(=O)C(=O)N1CCOCC1CC1CCOC1
InChIInChI=1S/C13H21NO5/c1-2-19-13(16)12(15)14-4-6-18-9-11(14)7-10-3-5-17-8-10/h10-11H,2-9H2,1H3
InChIKeyJCLUYDRLHRJIQH-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.20
Rot. Bonds3

About ethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate

ethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate (PubChem CID 165477067) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is ethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate
PubChem CID165477067
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Nameethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate
SMILESCCOC(=O)C(=O)N1CCOCC1CC1CCOC1
InChIInChI=1S/C13H21NO5/c1-2-19-13(16)12(15)14-4-6-18-9-11(14)7-10-3-5-17-8-10/h10-11H,2-9H2,1H3
InChIKeyJCLUYDRLHRJIQH-UHFFFAOYSA-N
XLogP0.20
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate
CID 165488230
2-(3-ethylmorpholin-4-yl)-2-oxoacetohydrazide
CID 43613615
(4-aminocyclohexyl)-(3-ethylmorpholin-4-yl)methanone
CID 60847443
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
ethyl 2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]acetate
CID 78881557
cyclohexyl 3-ethylmorpholine-4-carboxylate
CID 70843806
ethyl 4-[(3R)-3-methylmorpholin-4-yl]-2,4-dioxobutanoate
CID 163276648
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
2-hydroxyethyl 3-ethylmorpholine-4-carboxylate
CID 79349487
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43611838
ethyl 2-(2-methylpyrrolidin-1-yl)-2-oxoacetate
CID 60973596

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate?
The IUPAC name of ethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate (CID 165477067) is ethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate?
The canonical SMILES for ethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate is CCOC(=O)C(=O)N1CCOCC1CC1CCOC1.
What is the InChIKey of ethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate?
The InChIKey is JCLUYDRLHRJIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-2-19-13(16)12(15)14-4-6-18-9-11(14)7-10-3-5-17-8-10/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate?
ethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate has a molecular weight of 271.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate is sourced from PubChem (CID 165477067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).