tert-butyl (1S,5R)-6-(aminomethyl)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

C15H23N3O3 — CID 164860638

IUPACtert-butyl (1S,5R)-6-(aminomethyl)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCc1cc(C2(CN)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)no1
InChIInChI=1S/C15H23N3O3/c1-9-5-12(17-21-9)15(8-16)10-6-18(7-11(10)15)13(19)20-14(2,3)4/h5,10-11H,6-8,16H2,1-4H3/t10-,11+,15?
InChIKeyMITIWUXNRBJAST-YWXMQNBFSA-N
MW293.37 g/mol
LogP1.68
Rot. Bonds2

About tert-butyl (1S,5R)-6-(aminomethyl)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl (1S,5R)-6-(aminomethyl)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 164860638) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl (1S,5R)-6-(aminomethyl)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,5R)-6-(aminomethyl)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID164860638
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl (1S,5R)-6-(aminomethyl)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCc1cc(C2(CN)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)no1
InChIInChI=1S/C15H23N3O3/c1-9-5-12(17-21-9)15(8-16)10-6-18(7-11(10)15)13(19)20-14(2,3)4/h5,10-11H,6-8,16H2,1-4H3/t10-,11+,15?
InChIKeyMITIWUXNRBJAST-YWXMQNBFSA-N
XLogP1.68
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,5R)-6-(aminomethyl)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl (1S,5R)-6-(aminomethyl)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 164860638) is tert-butyl (1S,5R)-6-(aminomethyl)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl (1S,5R)-6-(aminomethyl)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl (1S,5R)-6-(aminomethyl)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is Cc1cc(C2(CN)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)no1.
What is the InChIKey of tert-butyl (1S,5R)-6-(aminomethyl)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is MITIWUXNRBJAST-YWXMQNBFSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9-5-12(17-21-9)15(8-16)10-6-18(7-11(10)15)13(19)20-14(2,3)4/h5,10-11H,6-8,16H2,1-4H3/t10-,11+,15?.
What are the key properties of tert-butyl (1S,5R)-6-(aminomethyl)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl (1S,5R)-6-(aminomethyl)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,5R)-6-(aminomethyl)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 164860638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).