methyl azetidine-2-carboxylate

C5H9NO2 — CID 13246222

IUPACmethyl azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1
InChIInChI=1S/C5H9NO2/c1-8-5(7)4-2-3-6-4/h4,6H,2-3H2,1H3
InChIKeyCHNOQXRIMCFHKZ-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.48
Rot. Bonds1

About methyl azetidine-2-carboxylate

methyl azetidine-2-carboxylate (PubChem CID 13246222) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is methyl azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl azetidine-2-carboxylate
PubChem CID13246222
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Namemethyl azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1
InChIInChI=1S/C5H9NO2/c1-8-5(7)4-2-3-6-4/h4,6H,2-3H2,1H3
InChIKeyCHNOQXRIMCFHKZ-UHFFFAOYSA-N
XLogP-0.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl azetidine-2-carboxylate?
The IUPAC name of methyl azetidine-2-carboxylate (CID 13246222) is methyl azetidine-2-carboxylate.
What is the SMILES notation for methyl azetidine-2-carboxylate?
The canonical SMILES for methyl azetidine-2-carboxylate is COC(=O)C1CCN1.
What is the InChIKey of methyl azetidine-2-carboxylate?
The InChIKey is CHNOQXRIMCFHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-8-5(7)4-2-3-6-4/h4,6H,2-3H2,1H3.
What are the key properties of methyl azetidine-2-carboxylate?
methyl azetidine-2-carboxylate has a molecular weight of 115.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl azetidine-2-carboxylate is sourced from PubChem (CID 13246222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).