ethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate

C8H13NO2 — CID 130736595

IUPACethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)C1C2CCNC21
InChIInChI=1S/C8H13NO2/c1-2-11-8(10)6-5-3-4-9-7(5)6/h5-7,9H,2-4H2,1H3
InChIKeyFSPJLERCPASNPN-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.16
Rot. Bonds2

About ethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate

ethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 130736595) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate
PubChem CID130736595
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)C1C2CCNC21
InChIInChI=1S/C8H13NO2/c1-2-11-8(10)6-5-3-4-9-7(5)6/h5-7,9H,2-4H2,1H3
InChIKeyFSPJLERCPASNPN-UHFFFAOYSA-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 2-azabicyclo[3.1.0]hexane-6-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

ethyl (3aS,4R,6aR)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carboxylate
CID 170446159
diethyl (2R,4S)-piperidine-2,4-dicarboxylate
CID 95970372
diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate
CID 99768949
ethyl (2S,3S)-2-methylpyrrolidine-3-carboxylate
CID 155921196
ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate
CID 45115923
diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419
ethyl 3-aminobicyclo[2.2.2]octane-2-carboxylate
CID 122519866
ethyl (2S,3R)-3-aminobicyclo[2.2.2]octane-2-carboxylate
CID 131632299
ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 98525001
ethyl (2R,3R)-3-aminobicyclo[2.2.2]octane-2-carboxylate;hydrochloride
CID 154706269

Frequently Asked Questions

What is the IUPAC name of ethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of ethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate (CID 130736595) is ethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for ethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for ethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate is CCOC(=O)C1C2CCNC21.
What is the InChIKey of ethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is FSPJLERCPASNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-11-8(10)6-5-3-4-9-7(5)6/h5-7,9H,2-4H2,1H3.
What are the key properties of ethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate?
ethyl 2-azabicyclo[3.1.0]hexane-6-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 2-azabicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 130736595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).