azetidin-3-ylmethyl acetate

C6H11NO2 — CID 66592470

IUPACazetidin-3-ylmethyl acetate
SMILESCC(=O)OCC1CNC1
InChIInChI=1S/C6H11NO2/c1-5(8)9-4-6-2-7-3-6/h6-7H,2-4H2,1H3
InChIKeyWEBKPCMSYJOTNH-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.23
Rot. Bonds2

About azetidin-3-ylmethyl acetate

azetidin-3-ylmethyl acetate (PubChem CID 66592470) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is azetidin-3-ylmethyl acetate.

Molecular Properties

Compound Nameazetidin-3-ylmethyl acetate
PubChem CID66592470
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameazetidin-3-ylmethyl acetate
SMILESCC(=O)OCC1CNC1
InChIInChI=1S/C6H11NO2/c1-5(8)9-4-6-2-7-3-6/h6-7H,2-4H2,1H3
InChIKeyWEBKPCMSYJOTNH-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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Related Compounds

[(3S)-piperidin-3-yl]methyl acetate
CID 11194466
azetidin-3-ylmethyl propanoate
CID 89024963
cyclopropylmethyl acetate
CID 538333
[(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate
CID 134129812
ethane;(4-methylcyclohexyl)methyl acetate
CID 144507702
thian-4-ylmethyl acetate
CID 129067655
1,4,7,10,13,16-hexazacyclooctadec-2-ylmethyl acetate
CID 101060497
1,4,7,10,13-pentazacyclopentadec-2-ylmethyl acetate
CID 101060492
thiolan-3-ylmethyl acetate
CID 130652151
[(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate
CID 121494090
[(1R,2R,4S)-2,4-dimethylcyclohexyl]methyl acetate
CID 7367089
(3-carbamoylcyclopentyl)methyl acetate
CID 517718

Frequently Asked Questions

What is the IUPAC name of azetidin-3-ylmethyl acetate?
The IUPAC name of azetidin-3-ylmethyl acetate (CID 66592470) is azetidin-3-ylmethyl acetate.
What is the SMILES notation for azetidin-3-ylmethyl acetate?
The canonical SMILES for azetidin-3-ylmethyl acetate is CC(=O)OCC1CNC1.
What is the InChIKey of azetidin-3-ylmethyl acetate?
The InChIKey is WEBKPCMSYJOTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(8)9-4-6-2-7-3-6/h6-7H,2-4H2,1H3.
What are the key properties of azetidin-3-ylmethyl acetate?
azetidin-3-ylmethyl 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 azetidin-3-ylmethyl acetate is sourced from PubChem (CID 66592470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).