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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H12NO2.Na
Molecular Weight 177.1761
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate

SMILES

[Na+].CC1(C)[C@H]2CN[C@@H]([C@@H]12)C([O-])=O

InChI

InChIKey=COKOUMLQYNAFNZ-YCLXABBFSA-M
InChI=1S/C8H13NO2.Na/c1-8(2)4-3-9-6(5(4)8)7(10)11;/h4-6,9H,3H2,1-2H3,(H,10,11);/q;+1/p-1/t4-,5-,6-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-dimethyl-, sodium salt (1:1), (1R,2S,5S)-
Preferred Name English
Sodium (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
Systematic Name English
Code System Code Type Description
PUBCHEM
163283385
Created by admin on Wed Apr 02 14:28:42 GMT 2025 , Edited by admin on Wed Apr 02 14:28:42 GMT 2025
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CAS
2755813-36-4
Created by admin on Wed Apr 02 14:28:42 GMT 2025 , Edited by admin on Wed Apr 02 14:28:42 GMT 2025
PRIMARY
FDA UNII
G97GD59FUC
Created by admin on Wed Apr 02 14:28:42 GMT 2025 , Edited by admin on Wed Apr 02 14:28:42 GMT 2025
PRIMARY