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

C11H20N2O2 — CID 57415833

IUPACtert-butyl (1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C(CN)[C@@H]2C1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-8-7(4-12)9(8)6-13/h7-9H,4-6,12H2,1-3H3/t7?,8-,9+
InChIKeyBZUMXXCFQUZQAV-CBLAIPOGSA-N
MW212.29 g/mol
LogP1.06
Rot. Bonds1

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

tert-butyl (1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 57415833) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl (1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID57415833
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl (1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C(CN)[C@@H]2C1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-8-7(4-12)9(8)6-13/h7-9H,4-6,12H2,1-3H3/t7?,8-,9+
InChIKeyBZUMXXCFQUZQAV-CBLAIPOGSA-N
XLogP1.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl (1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 57415833) is tert-butyl (1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl (1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl (1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(C)(C)OC(=O)N1C[C@@H]2C(CN)[C@@H]2C1.
What is the InChIKey of tert-butyl (1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is BZUMXXCFQUZQAV-CBLAIPOGSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-8-7(4-12)9(8)6-13/h7-9H,4-6,12H2,1-3H3/t7?,8-,9+.
What are the key properties of tert-butyl (1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl (1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 57415833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).