tert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate

C13H23NO2 — CID 155486891

IUPACtert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)C1[C@@H]2CC[C@H]1CC(N)C2
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12(15)11-8-4-5-9(11)7-10(14)6-8/h8-11H,4-7,14H2,1-3H3/t8-,9+,10?,11?
InChIKeyZCLHRPOKTQSBAR-IXBNRNDTSA-N
MW225.33 g/mol
LogP2.09
Rot. Bonds1

About tert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate

tert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate (PubChem CID 155486891) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate
PubChem CID155486891
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)C1[C@@H]2CC[C@H]1CC(N)C2
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12(15)11-8-4-5-9(11)7-10(14)6-8/h8-11H,4-7,14H2,1-3H3/t8-,9+,10?,11?
InChIKeyZCLHRPOKTQSBAR-IXBNRNDTSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (1R,2R,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylate
CID 178194354
ditert-butyl tricyclo[4.2.1.02,5]nonane-3,4-dicarboxylate
CID 129175515
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate
CID 121277242
tetratert-butyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate
CID 11431939
tert-butyl 5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 83487964
tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate
CID 155890892
tert-butyl acetate;cyclopropanamine
CID 174763638
tert-butyl cyclopropanecarboxylate
CID 157212632
tert-butyl (1S,6R)-bicyclo[4.1.0]heptane-7-carboxylate
CID 101004944
tert-butyl (1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylate
CID 58855747
tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;ethane
CID 91480700
tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 82665285

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate (CID 155486891) is tert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)C1[C@@H]2CC[C@H]1CC(N)C2.
What is the InChIKey of tert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is ZCLHRPOKTQSBAR-IXBNRNDTSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,3)16-12(15)11-8-4-5-9(11)7-10(14)6-8/h8-11H,4-7,14H2,1-3H3/t8-,9+,10?,11?.
What are the key properties of tert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate?
tert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 155486891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).