tert-butyl N-(azetidin-3-ylmethyl)carbamate

C9H18N2O2 — CID 15346872

IUPACtert-butyl N-(azetidin-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CNC1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-7-4-10-5-7/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyMOLUHRBHXXGWDP-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.73
Rot. Bonds2

About tert-butyl N-(azetidin-3-ylmethyl)carbamate

tert-butyl N-(azetidin-3-ylmethyl)carbamate (PubChem CID 15346872) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is tert-butyl N-(azetidin-3-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(azetidin-3-ylmethyl)carbamate
PubChem CID15346872
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nametert-butyl N-(azetidin-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CNC1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-7-4-10-5-7/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyMOLUHRBHXXGWDP-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Aminoazetidine, 3-BOC protected
CID 1519405
tert-butyl N-(4-aminobutyl)carbamate
CID 4351
tert-Butyl (3-aminopropyl)carbamate
CID 2735700
Tert-butyl N-butylcarbamate
CID 4271883
tert-butyl N-(2-cyano-2-methylethyl)carbamate
CID 45092391
tert-butyl N-(3-aminopropyl)-N-methylcarbamate
CID 2756543
1,1-Dimethylethyl N-(3-((3-aminopropyl)amino)propyl)carbamate
CID 2786632
rac-tert-butyl N-((1r,3r)-3-aminocyclobutyl)carbamate
CID 16228707
tert-butyl N-(4-isocyanobutyl)carbamate
CID 55265307
N-(tert-Butoxycarbonyl)-2-methyl-1,3-diaminopropane
CID 44629801
tert-butyl N-(3-(methylamino)propyl)carbamate
CID 11309987
1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate
CID 2757233

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(azetidin-3-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(azetidin-3-ylmethyl)carbamate (CID 15346872) is tert-butyl N-(azetidin-3-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(azetidin-3-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(azetidin-3-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1CNC1.
What is the InChIKey of tert-butyl N-(azetidin-3-ylmethyl)carbamate?
The InChIKey is MOLUHRBHXXGWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-7-4-10-5-7/h7,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(azetidin-3-ylmethyl)carbamate?
tert-butyl N-(azetidin-3-ylmethyl)carbamate has a molecular weight of 186.25 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(azetidin-3-ylmethyl)carbamate is sourced from PubChem (CID 15346872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).