methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate

C10H19NO3 — CID 79621134

IUPACmethyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CC(CO)C1
InChIInChI=1S/C10H19NO3/c1-10(2,9(13)14-3)7-11-4-8(5-11)6-12/h8,12H,4-7H2,1-3H3
InChIKeyHQELANKJBLCISJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.11
Rot. Bonds4

About methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate

methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate (PubChem CID 79621134) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate
PubChem CID79621134
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CC(CO)C1
InChIInChI=1S/C10H19NO3/c1-10(2,9(13)14-3)7-11-4-8(5-11)6-12/h8,12H,4-7H2,1-3H3
InChIKeyHQELANKJBLCISJ-UHFFFAOYSA-N
XLogP0.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate 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 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate (CID 79621134) is methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN1CC(CO)C1.
What is the InChIKey of methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate?
The InChIKey is HQELANKJBLCISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,9(13)14-3)7-11-4-8(5-11)6-12/h8,12H,4-7H2,1-3H3.
What are the key properties of methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate?
methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate has a molecular weight of 201.27 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 79621134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).