methyl 2-(2-methylazetidin-3-yl)acetate

C7H13NO2 — CID 171808682

IUPACmethyl 2-(2-methylazetidin-3-yl)acetate
SMILESCOC(=O)CC1CNC1C
InChIInChI=1S/C7H13NO2/c1-5-6(4-8-5)3-7(9)10-2/h5-6,8H,3-4H2,1-2H3
InChIKeyRYKSXUVCZBFWBX-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.16
Rot. Bonds2

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

methyl 2-(2-methylazetidin-3-yl)acetate (PubChem CID 171808682) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl 2-(2-methylazetidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylazetidin-3-yl)acetate
PubChem CID171808682
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl 2-(2-methylazetidin-3-yl)acetate
SMILESCOC(=O)CC1CNC1C
InChIInChI=1S/C7H13NO2/c1-5-6(4-8-5)3-7(9)10-2/h5-6,8H,3-4H2,1-2H3
InChIKeyRYKSXUVCZBFWBX-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

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Related Compounds

methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride
CID 166270818
methyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride
CID 160985459
methyl 2-(6-methylpiperidin-3-yl)acetate
CID 142278548
methyl 2-(3-ethylpiperidin-4-yl)acetate
CID 57098006
methyl 2-[2-(2-methoxy-2-oxoethyl)cycloheptyl]acetate
CID 12704967
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
methyl 2-methylazetidine-3-carboxylate;hydrochloride
CID 118796246
methyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
CID 6555935
methyl 2-(2-aminocyclopentyl)acetate;hydrochloride
CID 105447728
methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate
CID 97300343
methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate
CID 155820890
cis-methyl (1R,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
CID 91746697

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylazetidin-3-yl)acetate?
The IUPAC name of methyl 2-(2-methylazetidin-3-yl)acetate (CID 171808682) is methyl 2-(2-methylazetidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-methylazetidin-3-yl)acetate?
The canonical SMILES for methyl 2-(2-methylazetidin-3-yl)acetate is COC(=O)CC1CNC1C.
What is the InChIKey of methyl 2-(2-methylazetidin-3-yl)acetate?
The InChIKey is RYKSXUVCZBFWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-6(4-8-5)3-7(9)10-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of methyl 2-(2-methylazetidin-3-yl)acetate?
methyl 2-(2-methylazetidin-3-yl)acetate 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 methyl 2-(2-methylazetidin-3-yl)acetate is sourced from PubChem (CID 171808682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).