tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate

C14H26N2O3 — CID 98124763

IUPACtert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1C[C@@H]2CNC[C@@H](C1)C2O
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-6-9-4-10-7-15-8-11(5-9)12(10)17/h9-12,15,17H,4-8H2,1-3H3,(H,16,18)/t9?,10-,11-,12?/m1/s1
InChIKeyUTSWUEAAFXLCGZ-BFUDSRACSA-N
MW270.37 g/mol
LogP1.12
Rot. Bonds2

About tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate

tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate (PubChem CID 98124763) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate
PubChem CID98124763
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1C[C@@H]2CNC[C@@H](C1)C2O
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-6-9-4-10-7-15-8-11(5-9)12(10)17/h9-12,15,17H,4-8H2,1-3H3,(H,16,18)/t9?,10-,11-,12?/m1/s1
InChIKeyUTSWUEAAFXLCGZ-BFUDSRACSA-N
XLogP1.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate
CID 97007606
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate
CID 22408679
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate
CID 83920436
tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate
CID 105422427
tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate
CID 170897306
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate (CID 98124763) is tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1C[C@@H]2CNC[C@@H](C1)C2O.
What is the InChIKey of tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate?
The InChIKey is UTSWUEAAFXLCGZ-BFUDSRACSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-6-9-4-10-7-15-8-11(5-9)12(10)17/h9-12,15,17H,4-8H2,1-3H3,(H,16,18)/t9?,10-,11-,12?/m1/s1.
What are the key properties of tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate?
tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate is sourced from PubChem (CID 98124763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).