tert-butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate

C13H23NO5 — CID 11149989

IUPACtert-butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate
SMILESCCOC(=O)CC1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-5-18-11(15)8-10-9-17-7-6-14(10)12(16)19-13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyZNKFBXONLAWNSJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.58
Rot. Bonds3

About tert-butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate

tert-butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate (PubChem CID 11149989) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is tert-butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate
PubChem CID11149989
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nametert-butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate
SMILESCCOC(=O)CC1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-5-18-11(15)8-10-9-17-7-6-14(10)12(16)19-13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyZNKFBXONLAWNSJ-UHFFFAOYSA-N
XLogP1.58
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate (CID 11149989) is tert-butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate is CCOC(=O)CC1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate?
The InChIKey is ZNKFBXONLAWNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-5-18-11(15)8-10-9-17-7-6-14(10)12(16)19-13(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate?
tert-butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate is sourced from PubChem (CID 11149989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).