ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate

C8H13NO2 — CID 54230986

IUPACethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate
SMILESCCOC(=O)C1NC[C@@H]2C[C@@H]12
InChIInChI=1S/C8H13NO2/c1-2-11-8(10)7-6-3-5(6)4-9-7/h5-7,9H,2-4H2,1H3/t5-,6+,7?/m0/s1
InChIKeyQJFZMDWMBRUEMA-GFCOJPQKSA-N
MW155.20 g/mol
LogP0.16
Rot. Bonds2

About ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate

ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate (PubChem CID 54230986) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate.

Molecular Properties

Compound Nameethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate
PubChem CID54230986
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate
SMILESCCOC(=O)C1NC[C@@H]2C[C@@H]12
InChIInChI=1S/C8H13NO2/c1-2-11-8(10)7-6-3-5(6)4-9-7/h5-7,9H,2-4H2,1H3/t5-,6+,7?/m0/s1
InChIKeyQJFZMDWMBRUEMA-GFCOJPQKSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate?
The IUPAC name of ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate (CID 54230986) is ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate.
What is the SMILES notation for ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate?
The canonical SMILES for ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate is CCOC(=O)C1NC[C@@H]2C[C@@H]12.
What is the InChIKey of ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate?
The InChIKey is QJFZMDWMBRUEMA-GFCOJPQKSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-11-8(10)7-6-3-5(6)4-9-7/h5-7,9H,2-4H2,1H3/t5-,6+,7?/m0/s1.
What are the key properties of ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate?
ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate is sourced from PubChem (CID 54230986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).