[(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate

C9H18N2O2 — CID 175554542

IUPAC[(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC[C@@H]1CCN1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)11-8(12)13-6-7-4-5-10-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m0/s1
InChIKeyLPYAXICJGSEAKZ-ZETCQYMHSA-N
MW186.25 g/mol
LogP0.87
Rot. Bonds2

About [(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate

[(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate (PubChem CID 175554542) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is [(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate
PubChem CID175554542
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name[(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC[C@@H]1CCN1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)11-8(12)13-6-7-4-5-10-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m0/s1
InChIKeyLPYAXICJGSEAKZ-ZETCQYMHSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3S)-3-propan-2-ylpiperidin-2-yl]methyl N-tert-butylcarbamate
CID 140737739
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
pyrrolidin-2-yl N-tert-butylcarbamate
CID 91218699
(6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate
CID 102635556
(1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate
CID 142766919
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
bis((2S)-2-(methoxymethyl)azetidine);oxalic acid
CID 91826002
N-tert-butyl-2-(piperidin-2-ylmethoxy)propanamide
CID 62341255
[(E)-1-cyclopropylethylideneamino] N-tert-butylcarbamate
CID 43827566
[(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate
CID 97048112
2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate
CID 90924867
[(2S)-piperazin-2-yl] N-tert-butylcarbamate
CID 70136446

Frequently Asked Questions

What is the IUPAC name of [(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate?
The IUPAC name of [(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate (CID 175554542) is [(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate?
The canonical SMILES for [(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OC[C@@H]1CCN1.
What is the InChIKey of [(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate?
The InChIKey is LPYAXICJGSEAKZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)11-8(12)13-6-7-4-5-10-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m0/s1.
What are the key properties of [(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate?
[(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate has a molecular weight of 186.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 175554542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).