benzyl 3-(azetidin-1-yl)propanoate

C13H17NO2 — CID 156875495

IUPACbenzyl 3-(azetidin-1-yl)propanoate
SMILESO=C(CCN1CCC1)OCc1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(7-10-14-8-4-9-14)16-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChIKeyJLGBKLVXPWEPBU-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.83
Rot. Bonds5

About benzyl 3-(azetidin-1-yl)propanoate

benzyl 3-(azetidin-1-yl)propanoate (PubChem CID 156875495) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is benzyl 3-(azetidin-1-yl)propanoate.

Molecular Properties

Compound Namebenzyl 3-(azetidin-1-yl)propanoate
PubChem CID156875495
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namebenzyl 3-(azetidin-1-yl)propanoate
SMILESO=C(CCN1CCC1)OCc1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(7-10-14-8-4-9-14)16-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChIKeyJLGBKLVXPWEPBU-UHFFFAOYSA-N
XLogP1.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl 3-(azetidin-1-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 3-(4-butylpiperazin-1-yl)propanoate
CID 20795375
benzyl 2-(azetidin-1-yl)acetate
CID 140980014
benzyl 2-[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]acetate
CID 101385594
benzyl 4-(1,4-diazepan-1-yl)butanoate
CID 164946182
benzyl 4-[3-(2-methylpropoxy)-3-oxopropyl]piperazine-1-carboxylate
CID 131999377
2-[4,7-bis(carboxylatomethyl)-10-(5-oxo-5-phenylmethoxypentyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;thulium
CID 58455082
benzyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate
CID 63308848
dibenzyl 4-oxoheptanedioate
CID 14639376
azane;benzyl 3-phenylpropanoate
CID 175136325
4-O-amino 1-O-benzyl butanedioate
CID 54013080
benzyl 3-(2-oxopiperazin-1-yl)propanoate
CID 67570499
benzyl 4-phenylbutanoate
CID 11961623

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(azetidin-1-yl)propanoate?
The IUPAC name of benzyl 3-(azetidin-1-yl)propanoate (CID 156875495) is benzyl 3-(azetidin-1-yl)propanoate.
What is the SMILES notation for benzyl 3-(azetidin-1-yl)propanoate?
The canonical SMILES for benzyl 3-(azetidin-1-yl)propanoate is O=C(CCN1CCC1)OCc1ccccc1.
What is the InChIKey of benzyl 3-(azetidin-1-yl)propanoate?
The InChIKey is JLGBKLVXPWEPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(7-10-14-8-4-9-14)16-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2.
What are the key properties of benzyl 3-(azetidin-1-yl)propanoate?
benzyl 3-(azetidin-1-yl)propanoate has a molecular weight of 219.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(azetidin-1-yl)propanoate is sourced from PubChem (CID 156875495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).