methyl 2-(azetidin-3-yl)acetate

C6H11NO2 — CID 53408531

IUPACmethyl 2-(azetidin-3-yl)acetate
SMILESCOC(=O)CC1CNC1
InChIInChI=1S/C6H11NO2/c1-9-6(8)2-5-3-7-4-5/h5,7H,2-4H2,1H3
InChIKeyUMGZZVORZXUVMQ-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.23
Rot. Bonds2

About methyl 2-(azetidin-3-yl)acetate

methyl 2-(azetidin-3-yl)acetate (PubChem CID 53408531) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl 2-(azetidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(azetidin-3-yl)acetate
PubChem CID53408531
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl 2-(azetidin-3-yl)acetate
SMILESCOC(=O)CC1CNC1
InChIInChI=1S/C6H11NO2/c1-9-6(8)2-5-3-7-4-5/h5,7H,2-4H2,1H3
InChIKeyUMGZZVORZXUVMQ-UHFFFAOYSA-N
XLogP-0.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(azetidin-3-yl)acetate?
The IUPAC name of methyl 2-(azetidin-3-yl)acetate (CID 53408531) is methyl 2-(azetidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(azetidin-3-yl)acetate?
The canonical SMILES for methyl 2-(azetidin-3-yl)acetate is COC(=O)CC1CNC1.
What is the InChIKey of methyl 2-(azetidin-3-yl)acetate?
The InChIKey is UMGZZVORZXUVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-9-6(8)2-5-3-7-4-5/h5,7H,2-4H2,1H3.
What are the key properties of methyl 2-(azetidin-3-yl)acetate?
methyl 2-(azetidin-3-yl)acetate has a molecular weight of 129.16 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(azetidin-3-yl)acetate is sourced from PubChem (CID 53408531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).