[(2S)-4-oxoazetidin-2-yl] benzoate

C10H9NO3 — CID 6931357

IUPAC[(2S)-4-oxoazetidin-2-yl] benzoate
SMILESO=C1C[C@H](OC(=O)c2ccccc2)N1
InChIInChI=1S/C10H9NO3/c12-8-6-9(11-8)14-10(13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12)/t9-/m0/s1
InChIKeyHJJGOOONOIFDRH-VIFPVBQESA-N
MW191.19 g/mol
LogP0.69
Rot. Bonds2

About [(2S)-4-oxoazetidin-2-yl] benzoate

[(2S)-4-oxoazetidin-2-yl] benzoate (PubChem CID 6931357) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is [(2S)-4-oxoazetidin-2-yl] benzoate.

Molecular Properties

Compound Name[(2S)-4-oxoazetidin-2-yl] benzoate
PubChem CID6931357
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name[(2S)-4-oxoazetidin-2-yl] benzoate
SMILESO=C1C[C@H](OC(=O)c2ccccc2)N1
InChIInChI=1S/C10H9NO3/c12-8-6-9(11-8)14-10(13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12)/t9-/m0/s1
InChIKeyHJJGOOONOIFDRH-VIFPVBQESA-N
XLogP0.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-oxoazetidin-2-yl] benzoate?
The IUPAC name of [(2S)-4-oxoazetidin-2-yl] benzoate (CID 6931357) is [(2S)-4-oxoazetidin-2-yl] benzoate.
What is the SMILES notation for [(2S)-4-oxoazetidin-2-yl] benzoate?
The canonical SMILES for [(2S)-4-oxoazetidin-2-yl] benzoate is O=C1C[C@H](OC(=O)c2ccccc2)N1.
What is the InChIKey of [(2S)-4-oxoazetidin-2-yl] benzoate?
The InChIKey is HJJGOOONOIFDRH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9NO3/c12-8-6-9(11-8)14-10(13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12)/t9-/m0/s1.
What are the key properties of [(2S)-4-oxoazetidin-2-yl] benzoate?
[(2S)-4-oxoazetidin-2-yl] benzoate has a molecular weight of 191.19 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-oxoazetidin-2-yl] benzoate is sourced from PubChem (CID 6931357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).