benzyl azetidine-1-carboxylate

C11H13NO2 — CID 57241450

IUPACbenzyl azetidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC1
InChIInChI=1S/C11H13NO2/c13-11(12-7-4-8-12)14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyWXOQIRHYGZFGBS-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.03
Rot. Bonds2

About benzyl azetidine-1-carboxylate

benzyl azetidine-1-carboxylate (PubChem CID 57241450) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is benzyl azetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl azetidine-1-carboxylate
PubChem CID57241450
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namebenzyl azetidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC1
InChIInChI=1S/C11H13NO2/c13-11(12-7-4-8-12)14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyWXOQIRHYGZFGBS-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl azetidine-1-carboxylate?
The IUPAC name of benzyl azetidine-1-carboxylate (CID 57241450) is benzyl azetidine-1-carboxylate.
What is the SMILES notation for benzyl azetidine-1-carboxylate?
The canonical SMILES for benzyl azetidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC1.
What is the InChIKey of benzyl azetidine-1-carboxylate?
The InChIKey is WXOQIRHYGZFGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11(12-7-4-8-12)14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2.
What are the key properties of benzyl azetidine-1-carboxylate?
benzyl azetidine-1-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl azetidine-1-carboxylate is sourced from PubChem (CID 57241450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).