ethyl 3-methylazetidine-3-carboxylate

C7H13NO2 — CID 55288359

IUPACethyl 3-methylazetidine-3-carboxylate
SMILESCCOC(=O)C1(C)CNC1
InChIInChI=1S/C7H13NO2/c1-3-10-6(9)7(2)4-8-5-7/h8H,3-5H2,1-2H3
InChIKeyVAJSPSBSLYLXJD-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.16
Rot. Bonds2

About ethyl 3-methylazetidine-3-carboxylate

ethyl 3-methylazetidine-3-carboxylate (PubChem CID 55288359) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl 3-methylazetidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-methylazetidine-3-carboxylate
PubChem CID55288359
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethyl 3-methylazetidine-3-carboxylate
SMILESCCOC(=O)C1(C)CNC1
InChIInChI=1S/C7H13NO2/c1-3-10-6(9)7(2)4-8-5-7/h8H,3-5H2,1-2H3
InChIKeyVAJSPSBSLYLXJD-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-methylazetidine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 3-(methylamino)propanoate
CID 541480
Methyl azetidine-3-carboxylate hydrochloride
CID 21100040
Ethyl azetidine-3-carboxylate hydrochloride
CID 44828820
Methyl 3-fluoroazetidine-3-carboxylate hydrochloride
CID 89401741
Methyl azetidine-3-carboxylate
CID 20132751
Methyl 3-(fluoromethyl)azetidine-3-carboxylate hydrochloride
CID 170913019
Methyl 2,2-dimethyl-3-(methylamino)propanoate
CID 13248576
Ethyl azetidine-3-carboxylate
CID 21717027
Methyl 3-fluoroazetidine-3-carboxylate
CID 72207944
Methyl 3-ethylazetidine-3-carboxylate
CID 130905049
(3-Fluoroazetidin-3-yl)methyl 2,2-dimethylpropanoate
CID 174800137
Ethyl 3-fluoroazetidine-3-carboxylate
CID 112756496

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methylazetidine-3-carboxylate?
The IUPAC name of ethyl 3-methylazetidine-3-carboxylate (CID 55288359) is ethyl 3-methylazetidine-3-carboxylate.
What is the SMILES notation for ethyl 3-methylazetidine-3-carboxylate?
The canonical SMILES for ethyl 3-methylazetidine-3-carboxylate is CCOC(=O)C1(C)CNC1.
What is the InChIKey of ethyl 3-methylazetidine-3-carboxylate?
The InChIKey is VAJSPSBSLYLXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-10-6(9)7(2)4-8-5-7/h8H,3-5H2,1-2H3.
What are the key properties of ethyl 3-methylazetidine-3-carboxylate?
ethyl 3-methylazetidine-3-carboxylate has a molecular weight of 143.19 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylazetidine-3-carboxylate is sourced from PubChem (CID 55288359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).