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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H15NO2.ClH
Molecular Weight 205.682
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

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

SMILES

Cl.[H][C@]12CN[C@H](C(=O)OC)[C@@]1([H])C2(C)C

InChI

InChIKey=FKVUDBWXNAFSPB-MKXDVQRUSA-N
InChI=1S/C9H15NO2.ClH/c1-9(2)5-4-10-7(6(5)9)8(11)12-3;/h5-7,10H,4H2,1-3H3;1H/t5-,6-,7-;/m0./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

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:13:08 GMT 2023
Edited
by admin
on Sat Dec 16 19:13:08 GMT 2023
Record UNII
33ARM3Z735
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride
Systematic Name English
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-dimethyl-, methyl ester, hydrochloride (1:1), (1R,2S,5S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11229498
Created by admin on Sat Dec 16 19:13:08 GMT 2023 , Edited by admin on Sat Dec 16 19:13:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID30459426
Created by admin on Sat Dec 16 19:13:08 GMT 2023 , Edited by admin on Sat Dec 16 19:13:08 GMT 2023
PRIMARY
CAS
565456-77-1
Created by admin on Sat Dec 16 19:13:08 GMT 2023 , Edited by admin on Sat Dec 16 19:13:08 GMT 2023
PRIMARY
FDA UNII
33ARM3Z735
Created by admin on Sat Dec 16 19:13:08 GMT 2023 , Edited by admin on Sat Dec 16 19:13:08 GMT 2023
PRIMARY
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