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

C13H25NO5 — CID 20596274

IUPACmethyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
SMILESCOC(=O)C(CO)ON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C13H25NO5/c1-12(2)6-9(16)7-13(3,4)14(12)19-10(8-15)11(17)18-5/h9-10,15-16H,6-8H2,1-5H3
InChIKeyTVIKXPLAKBEXCG-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.47
Rot. Bonds4

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

methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate (PubChem CID 20596274) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
PubChem CID20596274
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Namemethyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
SMILESCOC(=O)C(CO)ON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C13H25NO5/c1-12(2)6-9(16)7-13(3,4)14(12)19-10(8-15)11(17)18-5/h9-10,15-16H,6-8H2,1-5H3
InChIKeyTVIKXPLAKBEXCG-UHFFFAOYSA-N
XLogP0.47
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.47
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)oxypropanoate?
The IUPAC name of methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate (CID 20596274) is methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The canonical SMILES for methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate is COC(=O)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)oxypropanoate?
The InChIKey is TVIKXPLAKBEXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-12(2)6-9(16)7-13(3,4)14(12)19-10(8-15)11(17)18-5/h9-10,15-16H,6-8H2,1-5H3.
What are the key properties of methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate has a molecular weight of 275.34 g/mol, XLogP of 0.47, 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)oxypropanoate is sourced from PubChem (CID 20596274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).