tert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate

C16H23BrN2O3 — CID 107238728

IUPACtert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(NC1C2CN(C(=O)OC(C)(C)C)CC21)c1ccc(Br)o1
InChIInChI=1S/C16H23BrN2O3/c1-9(12-5-6-13(17)21-12)18-14-10-7-19(8-11(10)14)15(20)22-16(2,3)4/h5-6,9-11,14,18H,7-8H2,1-4H3
InChIKeyHKMYYKIBBUZBPS-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.56
Rot. Bonds3

About tert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 107238728) has the molecular formula C16H23BrN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is tert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID107238728
Molecular FormulaC16H23BrN2O3
Molecular Weight371.28 g/mol
Exact Mass370.09
IUPAC Nametert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(NC1C2CN(C(=O)OC(C)(C)C)CC21)c1ccc(Br)o1
InChIInChI=1S/C16H23BrN2O3/c1-9(12-5-6-13(17)21-12)18-14-10-7-19(8-11(10)14)15(20)22-16(2,3)4/h5-6,9-11,14,18H,7-8H2,1-4H3
InChIKeyHKMYYKIBBUZBPS-UHFFFAOYSA-N
XLogP3.56
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate 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 4-[1-(5-bromofuran-2-yl)ethylamino]azepane-1-carboxylate
CID 107094045
tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate
CID 107239119
tert-butyl 6-(1,1-difluoropropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238572
tert-butyl 6-(1-phenylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238428
tert-butyl 6-[(4,5-dibromofuran-2-yl)methylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238791
tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238734
tert-butyl 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 107093651
tert-butyl (1S,5S)-6-(methylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 98125344
tert-butyl 6-(3-methylpentan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238670
tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate
CID 81405804
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate
CID 81403373

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 107238728) is tert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(NC1C2CN(C(=O)OC(C)(C)C)CC21)c1ccc(Br)o1.
What is the InChIKey of tert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is HKMYYKIBBUZBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3/c1-9(12-5-6-13(17)21-12)18-14-10-7-19(8-11(10)14)15(20)22-16(2,3)4/h5-6,9-11,14,18H,7-8H2,1-4H3.
What are the key properties of tert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 371.28 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 107238728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).