methyl 3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate

C13H25NO4 — CID 20596272

IUPACmethyl 3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
SMILESCOC(=O)C(CO)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H25NO4/c1-12(2)7-6-8-13(3,4)14(12)18-10(9-15)11(16)17-5/h10,15H,6-9H2,1-5H3
InChIKeyLWJJNKIFNLNWHP-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.50
Rot. Bonds4

About methyl 3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate

methyl 3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate (PubChem CID 20596272) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
PubChem CID20596272
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Namemethyl 3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
SMILESCOC(=O)C(CO)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H25NO4/c1-12(2)7-6-8-13(3,4)14(12)18-10(9-15)11(16)17-5/h10,15H,6-9H2,1-5H3
InChIKeyLWJJNKIFNLNWHP-UHFFFAOYSA-N
XLogP1.50
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The IUPAC name of methyl 3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate (CID 20596272) is methyl 3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The canonical SMILES for methyl 3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate is COC(=O)C(CO)ON1C(C)(C)CCCC1(C)C.
What is the InChIKey of methyl 3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The InChIKey is LWJJNKIFNLNWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-12(2)7-6-8-13(3,4)14(12)18-10(9-15)11(16)17-5/h10,15H,6-9H2,1-5H3.
What are the key properties of methyl 3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
methyl 3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate has a molecular weight of 259.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate is sourced from PubChem (CID 20596272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).