benzyl N-(2-oxoazetidin-3-yl)carbamate

C11H12N2O3 — CID 12834623

IUPACbenzyl N-(2-oxoazetidin-3-yl)carbamate
SMILESO=C(NC1CNC1=O)OCc1ccccc1
InChIInChI=1S/C11H12N2O3/c14-10-9(6-12-10)13-11(15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)(H,13,15)
InChIKeyNQXRQYKIEKLAHI-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.41
Rot. Bonds3

About benzyl N-(2-oxoazetidin-3-yl)carbamate

benzyl N-(2-oxoazetidin-3-yl)carbamate (PubChem CID 12834623) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is benzyl N-(2-oxoazetidin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-oxoazetidin-3-yl)carbamate
PubChem CID12834623
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namebenzyl N-(2-oxoazetidin-3-yl)carbamate
SMILESO=C(NC1CNC1=O)OCc1ccccc1
InChIInChI=1S/C11H12N2O3/c14-10-9(6-12-10)13-11(15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)(H,13,15)
InChIKeyNQXRQYKIEKLAHI-UHFFFAOYSA-N
XLogP0.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-(2-oxoazetidin-3-yl)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-oxoazetidin-3-yl)carbamate?
The IUPAC name of benzyl N-(2-oxoazetidin-3-yl)carbamate (CID 12834623) is benzyl N-(2-oxoazetidin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(2-oxoazetidin-3-yl)carbamate?
The canonical SMILES for benzyl N-(2-oxoazetidin-3-yl)carbamate is O=C(NC1CNC1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-oxoazetidin-3-yl)carbamate?
The InChIKey is NQXRQYKIEKLAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-10-9(6-12-10)13-11(15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)(H,13,15).
What are the key properties of benzyl N-(2-oxoazetidin-3-yl)carbamate?
benzyl N-(2-oxoazetidin-3-yl)carbamate has a molecular weight of 220.23 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-oxoazetidin-3-yl)carbamate is sourced from PubChem (CID 12834623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).