tert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate

C13H24N2O2 — CID 95396658

IUPACtert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@]12CCC[C@](N)(CC1)C2
InChIInChI=1S/C13H24N2O2/c1-11(2,3)17-10(16)15-13-6-4-5-12(14,9-13)7-8-13/h4-9,14H2,1-3H3,(H,15,16)/t12-,13+/m0/s1
InChIKeyTWFKLLUSAMSECF-QWHCGFSZSA-N
MW240.35 g/mol
LogP2.32
Rot. Bonds1

About tert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate

tert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate (PubChem CID 95396658) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate
PubChem CID95396658
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@]12CCC[C@](N)(CC1)C2
InChIInChI=1S/C13H24N2O2/c1-11(2,3)17-10(16)15-13-6-4-5-12(14,9-13)7-8-13/h4-9,14H2,1-3H3,(H,15,16)/t12-,13+/m0/s1
InChIKeyTWFKLLUSAMSECF-QWHCGFSZSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(4-amino-1-bicyclo[2.2.1]heptanyl)carbamate;hydrochloride
CID 134819026
4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.1.1]hexane-1-carboxylic acid
CID 25324806
4-methoxycarbonylbicyclo[2.2.1]heptane-1-carboxylic acid;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]heptane-1-carboxylate
CID 161182407
tert-butyl N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)oxymethyl]-1-bicyclo[2.2.1]heptanyl]carbamate
CID 163818123
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate
CID 168724937
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
tert-butyl N-[3-(2-amino-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 146204169
tert-butyl N-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 138106118
tert-butyl N-[5-[(2-aminophenyl)carbamoyl]-1-bicyclo[3.1.1]heptanyl]carbamate
CID 68555328
[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.1]heptan-1-yl]methyl acetate
CID 170907920
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl N-[1-(1-hydroxyethenyl)cyclopropyl]carbamate
CID 70266871

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate (CID 95396658) is tert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate is CC(C)(C)OC(=O)N[C@]12CCC[C@](N)(CC1)C2.
What is the InChIKey of tert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate?
The InChIKey is TWFKLLUSAMSECF-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2,3)17-10(16)15-13-6-4-5-12(14,9-13)7-8-13/h4-9,14H2,1-3H3,(H,15,16)/t12-,13+/m0/s1.
What are the key properties of tert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate?
tert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate is sourced from PubChem (CID 95396658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).