4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid

C15H27NO5 — CID 67205211

IUPAC4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid
SMILESCC1(C)CC(OC(=O)CCC(=O)O)CC(C)(C)N1CCO
InChIInChI=1S/C15H27NO5/c1-14(2)9-11(21-13(20)6-5-12(18)19)10-15(3,4)16(14)7-8-17/h11,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyMKQUPOZWLPOPCQ-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.41
Rot. Bonds6

About 4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid

4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid (PubChem CID 67205211) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid
PubChem CID67205211
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid
SMILESCC1(C)CC(OC(=O)CCC(=O)O)CC(C)(C)N1CCO
InChIInChI=1S/C15H27NO5/c1-14(2)9-11(21-13(20)6-5-12(18)19)10-15(3,4)16(14)7-8-17/h11,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyMKQUPOZWLPOPCQ-UHFFFAOYSA-N
XLogP1.41
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid?
The IUPAC name of 4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid (CID 67205211) is 4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid.
What is the SMILES notation for 4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid?
The canonical SMILES for 4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid is CC1(C)CC(OC(=O)CCC(=O)O)CC(C)(C)N1CCO.
What is the InChIKey of 4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid?
The InChIKey is MKQUPOZWLPOPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-14(2)9-11(21-13(20)6-5-12(18)19)10-15(3,4)16(14)7-8-17/h11,17H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid?
4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid has a molecular weight of 301.38 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid is sourced from PubChem (CID 67205211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).