tert-butyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate

C10H18N2O2 — CID 28820283

IUPACtert-butyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C(N)[C@@H]2C1
InChIInChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-4-6-7(5-12)8(6)11/h6-8H,4-5,11H2,1-3H3/t6-,7+,8?
InChIKeyUWWZMHWHRBGMIT-DHBOJHSNSA-N
MW198.27 g/mol
LogP0.81
Rot. Bonds

About tert-butyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 28820283) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is tert-butyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID28820283
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nametert-butyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C(N)[C@@H]2C1
InChIInChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-4-6-7(5-12)8(6)11/h6-8H,4-5,11H2,1-3H3/t6-,7+,8?
InChIKeyUWWZMHWHRBGMIT-DHBOJHSNSA-N
XLogP0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 28820283) is tert-butyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(C)(C)OC(=O)N1C[C@@H]2C(N)[C@@H]2C1.
What is the InChIKey of tert-butyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is UWWZMHWHRBGMIT-DHBOJHSNSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-4-6-7(5-12)8(6)11/h6-8H,4-5,11H2,1-3H3/t6-,7+,8?.
What are the key properties of tert-butyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 28820283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).