benzyl 2-(azetidin-1-yl)acetate

C12H15NO2 — CID 140980014

IUPACbenzyl 2-(azetidin-1-yl)acetate
SMILESO=C(CN1CCC1)OCc1ccccc1
InChIInChI=1S/C12H15NO2/c14-12(9-13-7-4-8-13)15-10-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyHGUOMULLWONJEQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.44
Rot. Bonds4

About benzyl 2-(azetidin-1-yl)acetate

benzyl 2-(azetidin-1-yl)acetate (PubChem CID 140980014) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is benzyl 2-(azetidin-1-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(azetidin-1-yl)acetate
PubChem CID140980014
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namebenzyl 2-(azetidin-1-yl)acetate
SMILESO=C(CN1CCC1)OCc1ccccc1
InChIInChI=1S/C12H15NO2/c14-12(9-13-7-4-8-13)15-10-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyHGUOMULLWONJEQ-UHFFFAOYSA-N
XLogP1.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]acetate
CID 101385594
benzyl 3-(azetidin-1-yl)propanoate
CID 156875495
tritert-butyl 11-(2-oxo-2-phenylmethoxyethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate
CID 25179082
2-[4-(2-oxo-2-phenylmethoxyethyl)-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 121480439
benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate
CID 67570184
benzyl 2-[4-[[(2R)-oxiran-2-yl]methyl]piperazin-1-yl]acetate
CID 167020418
benzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate
CID 161163924
benzyl 2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]acetate
CID 3592707
benzyl 2-[4-(3-hydroxy-3-methylpentanoyl)-1,4-diazepan-1-yl]acetate
CID 5016508
benzyl 2-(1,7,13-trioxa-4,10,16-triazacyclooctadec-4-yl)acetate
CID 177188457
benzyl 2-[3-(hydroxymethyl)azetidin-1-yl]acetate
CID 121105844
methyl 2-[7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,10-bis(2-oxo-2-phenylmethoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 118103309

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(azetidin-1-yl)acetate?
The IUPAC name of benzyl 2-(azetidin-1-yl)acetate (CID 140980014) is benzyl 2-(azetidin-1-yl)acetate.
What is the SMILES notation for benzyl 2-(azetidin-1-yl)acetate?
The canonical SMILES for benzyl 2-(azetidin-1-yl)acetate is O=C(CN1CCC1)OCc1ccccc1.
What is the InChIKey of benzyl 2-(azetidin-1-yl)acetate?
The InChIKey is HGUOMULLWONJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(9-13-7-4-8-13)15-10-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2.
What are the key properties of benzyl 2-(azetidin-1-yl)acetate?
benzyl 2-(azetidin-1-yl)acetate has a molecular weight of 205.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(azetidin-1-yl)acetate is sourced from PubChem (CID 140980014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).