methyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate

C10H19NO3 — CID 79620337

IUPACmethyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CC(C)(O)C1
InChIInChI=1S/C10H19NO3/c1-9(2,8(12)14-4)5-11-6-10(3,13)7-11/h13H,5-7H2,1-4H3
InChIKeyCOPLDDRDQOGVMY-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.25
Rot. Bonds3

About methyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate

methyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate (PubChem CID 79620337) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate
PubChem CID79620337
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CC(C)(O)C1
InChIInChI=1S/C10H19NO3/c1-9(2,8(12)14-4)5-11-6-10(3,13)7-11/h13H,5-7H2,1-4H3
InChIKeyCOPLDDRDQOGVMY-UHFFFAOYSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate (CID 79620337) is methyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN1CC(C)(O)C1.
What is the InChIKey of methyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate?
The InChIKey is COPLDDRDQOGVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(2,8(12)14-4)5-11-6-10(3,13)7-11/h13H,5-7H2,1-4H3.
What are the key properties of methyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate?
methyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate has a molecular weight of 201.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate is sourced from PubChem (CID 79620337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).