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

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Related Compounds

methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
CID 69499214
ethyl (3S,6aR)-6-hydroxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate
CID 147696078
ethyl (3aS,4R,6aR)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carboxylate
CID 170446159
ethyl (3S,3aS,6R,6aR)-6-amino-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate
CID 178194779
ethyl (3S,3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate
CID 59519786
ethyl (1R,4S,5S)-2-azabicyclo[2.1.1]hexane-5-carboxylate
CID 167717775
ethyl (3aS,6aR)-6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 154555213
ethyl (3S,3aS,6R,6aR)-6-hydroxy-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 59519757
(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 12851885
ethyl (1R,2S,5S)-3,8-diazabicyclo[3.2.1]octane-2-carboxylate
CID 150564120
ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 159150821
ethyl 3,8-diazabicyclo[3.2.1]octane-2-carboxylate;dihydrochloride
CID 171329342

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).