tert-butyl 4-morpholin-4-yl-4-oxobutanoate

C12H21NO4 — CID 24881835

IUPACtert-butyl 4-morpholin-4-yl-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(15)5-4-10(14)13-6-8-16-9-7-13/h4-9H2,1-3H3
InChIKeyLFYIJEVTSUAUNI-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.97
Rot. Bonds3

About tert-butyl 4-morpholin-4-yl-4-oxobutanoate

tert-butyl 4-morpholin-4-yl-4-oxobutanoate (PubChem CID 24881835) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl 4-morpholin-4-yl-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-morpholin-4-yl-4-oxobutanoate
PubChem CID24881835
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl 4-morpholin-4-yl-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(15)5-4-10(14)13-6-8-16-9-7-13/h4-9H2,1-3H3
InChIKeyLFYIJEVTSUAUNI-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-morpholin-4-yl-4-oxobutanoate?
The IUPAC name of tert-butyl 4-morpholin-4-yl-4-oxobutanoate (CID 24881835) is tert-butyl 4-morpholin-4-yl-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-morpholin-4-yl-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-morpholin-4-yl-4-oxobutanoate is CC(C)(C)OC(=O)CCC(=O)N1CCOCC1.
What is the InChIKey of tert-butyl 4-morpholin-4-yl-4-oxobutanoate?
The InChIKey is LFYIJEVTSUAUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)5-4-10(14)13-6-8-16-9-7-13/h4-9H2,1-3H3.
What are the key properties of tert-butyl 4-morpholin-4-yl-4-oxobutanoate?
tert-butyl 4-morpholin-4-yl-4-oxobutanoate has a molecular weight of 243.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-morpholin-4-yl-4-oxobutanoate is sourced from PubChem (CID 24881835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).