4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate

C13H23NO5 — CID 131997082

IUPAC4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate
SMILESCCOC(=O)C1(C)CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C13H23NO5/c1-6-17-10(15)13(5)9-14(7-8-18-13)11(16)19-12(2,3)4/h6-9H2,1-5H3
InChIKeyVIFITSBTFLXERZ-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.58
Rot. Bonds2

About 4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate

4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate (PubChem CID 131997082) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate.

Molecular Properties

Compound Name4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate
PubChem CID131997082
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate
SMILESCCOC(=O)C1(C)CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C13H23NO5/c1-6-17-10(15)13(5)9-14(7-8-18-13)11(16)19-12(2,3)4/h6-9H2,1-5H3
InChIKeyVIFITSBTFLXERZ-UHFFFAOYSA-N
XLogP1.58
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(2-ethoxy-2-oxoethyl)-2-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate
CID 177330033
1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
CID 86306952
1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane
CID 174806734
tert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate
CID 131997109
1-O-tert-butyl 3-O-ethyl (3R)-3-fluoropiperidine-1,3-dicarboxylate
CID 86334070
1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
CID 117273382
1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate
CID 82124676
tert-butyl (6S)-6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CID 125117343
3-O-tert-butyl 1-O-ethyl (1R,6R)-3-azabicyclo[4.1.0]heptane-1,3-dicarboxylate
CID 129389769
6-O-tert-butyl 4a-O-ethyl (4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-4a,6-dicarboxylate
CID 124556089
1-O-tert-butyl 3-O-ethyl (3R)-3-ethyl-4-oxopiperidine-1,3-dicarboxylate
CID 129380086
1-O-tert-butyl 3-O-ethyl 3-(1-aminocyclopropyl)azetidine-1,3-dicarboxylate
CID 59558418

Frequently Asked Questions

What is the IUPAC name of 4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate?
The IUPAC name of 4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate (CID 131997082) is 4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate.
What is the SMILES notation for 4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate?
The canonical SMILES for 4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate is CCOC(=O)C1(C)CN(C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of 4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate?
The InChIKey is VIFITSBTFLXERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-6-17-10(15)13(5)9-14(7-8-18-13)11(16)19-12(2,3)4/h6-9H2,1-5H3.
What are the key properties of 4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate?
4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate has a molecular weight of 273.33 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate is sourced from PubChem (CID 131997082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).