U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H13NO2.ClH
Molecular Weight 191.655
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

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

SMILES

Cl.CC1(C)[C@H]2CN[C@@H]([C@@H]12)C(O)=O

InChI

InChIKey=RWFNAAZDBOSSIY-YCLXABBFSA-N
InChI=1S/C8H13NO2.ClH/c1-8(2)4-3-9-6(5(4)8)7(10)11;/h4-6,9H,3H2,1-2H3,(H,10,11);1H/t4-,5-,6-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H13NO2
Molecular Weight 155.1943
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 16:00:04 GMT 2025
Edited
by admin
on Wed Apr 02 16:00:04 GMT 2025
Record UNII
P5R2C6VP3S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-dimethyl-, hydrochloride (1:1), (1R,2S,5S)-
Preferred Name English
(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid hydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
P5R2C6VP3S
Created by admin on Wed Apr 02 16:00:04 GMT 2025 , Edited by admin on Wed Apr 02 16:00:04 GMT 2025
PRIMARY
CAS
1373205-30-1
Created by admin on Wed Apr 02 16:00:04 GMT 2025 , Edited by admin on Wed Apr 02 16:00:04 GMT 2025
PRIMARY
PUBCHEM
68993281
Created by admin on Wed Apr 02 16:00:04 GMT 2025 , Edited by admin on Wed Apr 02 16:00:04 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE