tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate

C9H16N2O3 — CID 125489322

IUPACtert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CNC1=O
InChIInChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-6-4-10-7(6)12/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)/t6-/m0/s1
InChIKeyIKBXVBJVHAFIIW-LURJTMIESA-N
MW200.24 g/mol
LogP0.26
Rot. Bonds2

About tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate

tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate (PubChem CID 125489322) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate
PubChem CID125489322
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nametert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CNC1=O
InChIInChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-6-4-10-7(6)12/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)/t6-/m0/s1
InChIKeyIKBXVBJVHAFIIW-LURJTMIESA-N
XLogP0.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
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tert-butyl N-[(4-methyl-7-oxo-1,4-diazepan-5-yl)methyl]carbamate
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tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate
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tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate
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tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate (CID 125489322) is tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1CNC1=O.
What is the InChIKey of tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate?
The InChIKey is IKBXVBJVHAFIIW-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-6-4-10-7(6)12/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)/t6-/m0/s1.
What are the key properties of tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate?
tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate is sourced from PubChem (CID 125489322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).