tert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate

C11H18N2O3 — CID 171107387

IUPACtert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC12CCC(C1)NC2=O
InChIInChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-11-5-4-7(6-11)12-8(11)14/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyNLAUWGZLGYUAIE-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.93
Rot. Bonds1

About tert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate

tert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate (PubChem CID 171107387) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is tert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate
PubChem CID171107387
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nametert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC12CCC(C1)NC2=O
InChIInChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-11-5-4-7(6-11)12-8(11)14/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyNLAUWGZLGYUAIE-UHFFFAOYSA-N
XLogP0.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate?
The IUPAC name of tert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate (CID 171107387) is tert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate is CC(C)(C)OC(=O)NC12CCC(C1)NC2=O.
What is the InChIKey of tert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate?
The InChIKey is NLAUWGZLGYUAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-11-5-4-7(6-11)12-8(11)14/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of tert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate?
tert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate has a molecular weight of 226.28 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate is sourced from PubChem (CID 171107387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).