benzyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate

C14H17NO4 — CID 13018169

IUPACbenzyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate
SMILESCC(O)C1C(=O)NC1CC(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO4/c1-9(16)13-11(15-14(13)18)7-12(17)19-8-10-5-3-2-4-6-10/h2-6,9,11,13,16H,7-8H2,1H3,(H,15,18)
InChIKeyVEOGAZMGGUEDBF-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.62
Rot. Bonds5

About benzyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate

benzyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate (PubChem CID 13018169) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is benzyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate
PubChem CID13018169
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namebenzyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate
SMILESCC(O)C1C(=O)NC1CC(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO4/c1-9(16)13-11(15-14(13)18)7-12(17)19-8-10-5-3-2-4-6-10/h2-6,9,11,13,16H,7-8H2,1H3,(H,15,18)
InChIKeyVEOGAZMGGUEDBF-UHFFFAOYSA-N
XLogP0.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate?
The IUPAC name of benzyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate (CID 13018169) is benzyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate.
What is the SMILES notation for benzyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate?
The canonical SMILES for benzyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate is CC(O)C1C(=O)NC1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate?
The InChIKey is VEOGAZMGGUEDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(16)13-11(15-14(13)18)7-12(17)19-8-10-5-3-2-4-6-10/h2-6,9,11,13,16H,7-8H2,1H3,(H,15,18).
What are the key properties of benzyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate?
benzyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate has a molecular weight of 263.29 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate is sourced from PubChem (CID 13018169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).