benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate

C13H16N2O2 — CID 122156999

IUPACbenzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate
SMILESO=C(NC1C2CNC1C2)OCc1ccccc1
InChIInChI=1S/C13H16N2O2/c16-13(15-12-10-6-11(12)14-7-10)17-8-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2,(H,15,16)
InChIKeyFPINETZHLHKVQZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.27
Rot. Bonds3

About benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate

benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate (PubChem CID 122156999) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate
PubChem CID122156999
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namebenzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate
SMILESO=C(NC1C2CNC1C2)OCc1ccccc1
InChIInChI=1S/C13H16N2O2/c16-13(15-12-10-6-11(12)14-7-10)17-8-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2,(H,15,16)
InChIKeyFPINETZHLHKVQZ-UHFFFAOYSA-N
XLogP1.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
CID 117045629
(2S,4S)-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
CID 45072529
benzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate
CID 164821490
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 171422180
methyl 3-(phenylmethoxycarbonylamino)bicyclo[2.2.1]heptane-2-carboxylate
CID 54337610
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate
CID 68556132
3-(phenylmethoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2733679

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate?
The IUPAC name of benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate (CID 122156999) is benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate.
What is the SMILES notation for benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate?
The canonical SMILES for benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate is O=C(NC1C2CNC1C2)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate?
The InChIKey is FPINETZHLHKVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13(15-12-10-6-11(12)14-7-10)17-8-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2,(H,15,16).
What are the key properties of benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate?
benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate has a molecular weight of 232.28 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate is sourced from PubChem (CID 122156999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).