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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H15NO2
Molecular Weight 169.2209
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

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

SMILES

COC(=O)[C@@H]1NC[C@@H]2[C@H]1C2(C)C

InChI

InChIKey=KCIDWDVSBWPHLH-FSDSQADBSA-N
InChI=1S/C9H15NO2/c1-9(2)5-4-10-7(6(5)9)8(11)12-3/h5-7,10H,4H2,1-3H3/t5-,6-,7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H15NO2
Molecular Weight 169.2209
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:18:36 GMT 2025
Edited
by admin
on Wed Apr 02 19:18:36 GMT 2025
Record UNII
TS8JFJ2N98
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1S,2R,5R)-Methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
Preferred Name English
Methyl (1S,2R,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
Systematic Name English
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-dimethyl-, methyl ester, (1S,2R,5R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
46940041
Created by admin on Wed Apr 02 19:18:36 GMT 2025 , Edited by admin on Wed Apr 02 19:18:36 GMT 2025
PRIMARY
FDA UNII
TS8JFJ2N98
Created by admin on Wed Apr 02 19:18:36 GMT 2025 , Edited by admin on Wed Apr 02 19:18:36 GMT 2025
PRIMARY
CAS
943516-62-9
Created by admin on Wed Apr 02 19:18:36 GMT 2025 , Edited by admin on Wed Apr 02 19:18:36 GMT 2025
PRIMARY