tert-butyl N-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]carbamate

C10H19N3O2 — CID 164523959

IUPACtert-butyl N-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NN1C[C@H]2C[C@@H]1CN2
InChIInChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)12-13-6-7-4-8(13)5-11-7/h7-8,11H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m1/s1
InChIKeyXOGGQABFACKHED-HTQZYQBOSA-N
MW213.28 g/mol
LogP0.47
Rot. Bonds1

About tert-butyl N-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]carbamate

tert-butyl N-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]carbamate (PubChem CID 164523959) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]carbamate
PubChem CID164523959
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Nametert-butyl N-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NN1C[C@H]2C[C@@H]1CN2
InChIInChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)12-13-6-7-4-8(13)5-11-7/h7-8,11H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m1/s1
InChIKeyXOGGQABFACKHED-HTQZYQBOSA-N
XLogP0.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate
CID 154725996
(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid
CID 51031273
(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid
CID 51031410
1-[(1S,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 124539751
tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate
CID 170897306
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
ethyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 130543565
tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
CID 11745988
tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate
CID 70204935
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397
tert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate
CID 155190179

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]carbamate (CID 164523959) is tert-butyl N-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]carbamate is CC(C)(C)OC(=O)NN1C[C@H]2C[C@@H]1CN2.
What is the InChIKey of tert-butyl N-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]carbamate?
The InChIKey is XOGGQABFACKHED-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)12-13-6-7-4-8(13)5-11-7/h7-8,11H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m1/s1.
What are the key properties of tert-butyl N-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]carbamate?
tert-butyl N-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]carbamate is sourced from PubChem (CID 164523959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).