methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate

C14H27NO5 — CID 20596273

IUPACmethyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate
SMILESCOC(=O)C(C)(CO)ON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C14H27NO5/c1-12(2)7-10(17)8-13(3,4)15(12)20-14(5,9-16)11(18)19-6/h10,16-17H,7-9H2,1-6H3
InChIKeyIVQBNWGOOYUMDU-UHFFFAOYSA-N
MW289.37 g/mol
LogP0.86
Rot. Bonds4

About methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate

methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate (PubChem CID 20596273) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate
PubChem CID20596273
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Namemethyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate
SMILESCOC(=O)C(C)(CO)ON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C14H27NO5/c1-12(2)7-10(17)8-13(3,4)15(12)20-14(5,9-16)11(18)19-6/h10,16-17H,7-9H2,1-6H3
InChIKeyIVQBNWGOOYUMDU-UHFFFAOYSA-N
XLogP0.86
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate?
The IUPAC name of methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate (CID 20596273) is methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate?
The canonical SMILES for methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate is COC(=O)C(C)(CO)ON1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate?
The InChIKey is IVQBNWGOOYUMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-12(2)7-10(17)8-13(3,4)15(12)20-14(5,9-16)11(18)19-6/h10,16-17H,7-9H2,1-6H3.
What are the key properties of methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate?
methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate has a molecular weight of 289.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate is sourced from PubChem (CID 20596273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).