benzyl N-[(3S)-2-oxoazetidin-3-yl]carbamate

C11H12N2O3 — CID 12834624

IUPACbenzyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESO=C(N[C@H]1CNC1=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)/t9-/m0/s1
InChIKeyNQXRQYKIEKLAHI-VIFPVBQESA-N
MW220.23 g/mol
LogP0.41
Rot. Bonds3

About benzyl N-[(3S)-2-oxoazetidin-3-yl]carbamate

benzyl N-[(3S)-2-oxoazetidin-3-yl]carbamate (PubChem CID 12834624) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is benzyl N-[(3S)-2-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
PubChem CID12834624
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namebenzyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESO=C(N[C@H]1CNC1=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)/t9-/m0/s1
InChIKeyNQXRQYKIEKLAHI-VIFPVBQESA-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

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S)-2-oxoazetidin-3-yl]carbamate (CID 12834624) is benzyl N-[(3S)-2-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S)-2-oxoazetidin-3-yl]carbamate is O=C(N[C@H]1CNC1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The InChIKey is NQXRQYKIEKLAHI-VIFPVBQESA-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)/t9-/m0/s1.
What are the key properties of benzyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
benzyl N-[(3S)-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-[(3S)-2-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 12834624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).