[(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate

C15H20N2O2 — CID 172844272

IUPAC[(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate
SMILESNC(=O)O[C@@H]1CC[C@@H]2CC[C@]1(Cc1ccccc1)N2
InChIInChI=1S/C15H20N2O2/c16-14(18)19-13-7-6-12-8-9-15(13,17-12)10-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2,(H2,16,18)/t12-,13-,15-/m1/s1
InChIKeyXFAJUUYGFUKATH-UMVBOHGHSA-N
MW260.34 g/mol
LogP1.98
Rot. Bonds3

About [(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate

[(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate (PubChem CID 172844272) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate.

Molecular Properties

Compound Name[(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate
PubChem CID172844272
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate
SMILESNC(=O)O[C@@H]1CC[C@@H]2CC[C@]1(Cc1ccccc1)N2
InChIInChI=1S/C15H20N2O2/c16-14(18)19-13-7-6-12-8-9-15(13,17-12)10-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2,(H2,16,18)/t12-,13-,15-/m1/s1
InChIKeyXFAJUUYGFUKATH-UMVBOHGHSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate with MolForge

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Related Compounds

1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine
CID 68945674
[(1R,3S,4S)-1-benzyl-3-fluoro-4-hydroxycyclohexyl] carbamate
CID 172849870
7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methanone
CID 67284977
(1S,3S,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 68824297
(2-benzyl-2-methoxycarbonylcyclopentyl) 4-methylbenzoate
CID 69199533
diethyl 2-[(2S)-1-benzoyl-5-benzyl-5-ethoxycarbonylpyrrolidin-2-yl]-2-methylpropanedioate
CID 11071259
[(3S)-5-benzylpiperidin-3-yl] carbamate
CID 69406960
1-benzylcyclopropane-1-carboxylic acid
CID 562561
benzyl carbamate;piperidine-2,6-dione
CID 174491425
(1-benzylcyclopentyl)urea
CID 86790395
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
4-benzylpiperidine-4-carboxylic acid
CID 18365178

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate?
The IUPAC name of [(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate (CID 172844272) is [(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate.
What is the SMILES notation for [(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate?
The canonical SMILES for [(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate is NC(=O)O[C@@H]1CC[C@@H]2CC[C@]1(Cc1ccccc1)N2.
What is the InChIKey of [(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate?
The InChIKey is XFAJUUYGFUKATH-UMVBOHGHSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-14(18)19-13-7-6-12-8-9-15(13,17-12)10-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2,(H2,16,18)/t12-,13-,15-/m1/s1.
What are the key properties of [(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate?
[(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate has a molecular weight of 260.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-2-yl] carbamate is sourced from PubChem (CID 172844272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).