methyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate

C13H25NO4 — CID 11021622

IUPACmethyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate
SMILESCOC(=O)C(C)O[15N]1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C13H25NO4/c1-9(11(16)17-6)18-14-12(2,3)7-10(15)8-13(14,4)5/h9-10,15H,7-8H2,1-6H3/i14+1
InChIKeyCOSDJGVACRHQKB-UJKGMGNHSA-N
MW260.34 g/mol
LogP1.49
Rot. Bonds3

About methyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate

methyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate (PubChem CID 11021622) has the molecular formula C13H25NO4 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate
PubChem CID11021622
Molecular FormulaC13H25NO4
Molecular Weight260.34 g/mol
Exact Mass260.18
IUPAC Namemethyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate
SMILESCOC(=O)C(C)O[15N]1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C13H25NO4/c1-9(11(16)17-6)18-14-12(2,3)7-10(15)8-13(14,4)5/h9-10,15H,7-8H2,1-6H3/i14+1
InChIKeyCOSDJGVACRHQKB-UJKGMGNHSA-N
XLogP1.49
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate?
The IUPAC name of methyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate (CID 11021622) is methyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate.
What is the SMILES notation for methyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate?
The canonical SMILES for methyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate is COC(=O)C(C)O[15N]1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of methyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate?
The InChIKey is COSDJGVACRHQKB-UJKGMGNHSA-N. The full InChI is InChI=1S/C13H25NO4/c1-9(11(16)17-6)18-14-12(2,3)7-10(15)8-13(14,4)5/h9-10,15H,7-8H2,1-6H3/i14+1.
What are the key properties of methyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate?
methyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate has a molecular weight of 260.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxy-2,2,6,6-tetramethyl(115N)azinan-1-yl)oxypropanoate is sourced from PubChem (CID 11021622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).