4-ethoxy-4-oxobutanoic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol

C17H33NO6 — CID 67639099

IUPAC4-ethoxy-4-oxobutanoic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1CCO.CCOC(=O)CCC(=O)O
InChIInChI=1S/C11H23NO2.C6H10O4/c1-10(2)7-9(14)8-11(3,4)12(10)5-6-13;1-2-10-6(9)4-3-5(7)8/h9,13-14H,5-8H2,1-4H3;2-4H2,1H3,(H,7,8)
InChIKeyBXSSYNOAMMNJEE-UHFFFAOYSA-N
MW347.45 g/mol
LogP1.41
Rot. Bonds6

About 4-ethoxy-4-oxobutanoic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol

4-ethoxy-4-oxobutanoic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 67639099) has the molecular formula C17H33NO6 and a molecular weight of 347.45 g/mol. Its IUPAC name is 4-ethoxy-4-oxobutanoic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name4-ethoxy-4-oxobutanoic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID67639099
Molecular FormulaC17H33NO6
Molecular Weight347.45 g/mol
Exact Mass347.23
IUPAC Name4-ethoxy-4-oxobutanoic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1CCO.CCOC(=O)CCC(=O)O
InChIInChI=1S/C11H23NO2.C6H10O4/c1-10(2)7-9(14)8-11(3,4)12(10)5-6-13;1-2-10-6(9)4-3-5(7)8/h9,13-14H,5-8H2,1-4H3;2-4H2,1H3,(H,7,8)
InChIKeyBXSSYNOAMMNJEE-UHFFFAOYSA-N
XLogP1.41
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-oxobutanoic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 4-ethoxy-4-oxobutanoic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol (CID 67639099) is 4-ethoxy-4-oxobutanoic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 4-ethoxy-4-oxobutanoic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 4-ethoxy-4-oxobutanoic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)CC(C)(C)N1CCO.CCOC(=O)CCC(=O)O.
What is the InChIKey of 4-ethoxy-4-oxobutanoic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is BXSSYNOAMMNJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.C6H10O4/c1-10(2)7-9(14)8-11(3,4)12(10)5-6-13;1-2-10-6(9)4-3-5(7)8/h9,13-14H,5-8H2,1-4H3;2-4H2,1H3,(H,7,8).
What are the key properties of 4-ethoxy-4-oxobutanoic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
4-ethoxy-4-oxobutanoic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 347.45 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-oxobutanoic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 67639099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).