(4-oxoazetidin-2-yl)methyl carbamate

C5H8N2O3 — CID 54255234

IUPAC(4-oxoazetidin-2-yl)methyl carbamate
SMILESNC(=O)OCC1CC(=O)N1
InChIInChI=1S/C5H8N2O3/c6-5(9)10-2-3-1-4(8)7-3/h3H,1-2H2,(H2,6,9)(H,7,8)
InChIKeyQZOIAPGAHMWCOY-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.03
Rot. Bonds2

About (4-oxoazetidin-2-yl)methyl carbamate

(4-oxoazetidin-2-yl)methyl carbamate (PubChem CID 54255234) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is (4-oxoazetidin-2-yl)methyl carbamate.

Molecular Properties

Compound Name(4-oxoazetidin-2-yl)methyl carbamate
PubChem CID54255234
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name(4-oxoazetidin-2-yl)methyl carbamate
SMILESNC(=O)OCC1CC(=O)N1
InChIInChI=1S/C5H8N2O3/c6-5(9)10-2-3-1-4(8)7-3/h3H,1-2H2,(H2,6,9)(H,7,8)
InChIKeyQZOIAPGAHMWCOY-UHFFFAOYSA-N
XLogP-1.03
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-oxoazetidin-2-yl)methyl carbamate?
The IUPAC name of (4-oxoazetidin-2-yl)methyl carbamate (CID 54255234) is (4-oxoazetidin-2-yl)methyl carbamate.
What is the SMILES notation for (4-oxoazetidin-2-yl)methyl carbamate?
The canonical SMILES for (4-oxoazetidin-2-yl)methyl carbamate is NC(=O)OCC1CC(=O)N1.
What is the InChIKey of (4-oxoazetidin-2-yl)methyl carbamate?
The InChIKey is QZOIAPGAHMWCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c6-5(9)10-2-3-1-4(8)7-3/h3H,1-2H2,(H2,6,9)(H,7,8).
What are the key properties of (4-oxoazetidin-2-yl)methyl carbamate?
(4-oxoazetidin-2-yl)methyl carbamate has a molecular weight of 144.13 g/mol, XLogP of -1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxoazetidin-2-yl)methyl carbamate is sourced from PubChem (CID 54255234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).