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

C11H20N2O2 — CID 154725996

IUPACtert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-5-8-4-7(9)6-12-8/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-,9+/m0/s1
InChIKeyVERHYGQTHIOMQC-XHNCKOQMSA-N
MW212.29 g/mol
LogP1.26
Rot. Bonds1

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

tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate (PubChem CID 154725996) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate
PubChem CID154725996
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-5-8-4-7(9)6-12-8/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-,9+/m0/s1
InChIKeyVERHYGQTHIOMQC-XHNCKOQMSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]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-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate
CID 170897306
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate
CID 154704474
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631
tert-butyl N-[(3R,4R)-4-ethylpyrrolidin-3-yl]carbamate
CID 22871836
tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate
CID 22880752
tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride
CID 126791140
tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate
CID 70204935
tert-butyl N-[(4R)-4-fluoropyrrolidin-3-yl]carbamate
CID 166849692
tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate
CID 121207555

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate (CID 154725996) is tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN2.
What is the InChIKey of tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate?
The InChIKey is VERHYGQTHIOMQC-XHNCKOQMSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-5-8-4-7(9)6-12-8/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-,9+/m0/s1.
What are the key properties of tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate?
tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate has a molecular weight of 212.29 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate is sourced from PubChem (CID 154725996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).