(1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride

C8H14ClNO2 — CID 163342230

IUPAC(1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride
SMILESCC1(C)[C@@H]2[C@@H](C(=O)O)NC[C@H]21.Cl
InChIInChI=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+;/m1./s1
InChIKeyRWFNAAZDBOSSIY-GAJRHLONSA-N
MW191.66 g/mol
LogP0.74
Rot. Bonds1

About (1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride

(1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride (PubChem CID 163342230) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is (1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride
PubChem CID163342230
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name(1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride
SMILESCC1(C)[C@@H]2[C@@H](C(=O)O)NC[C@H]21.Cl
InChIInChI=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+;/m1./s1
InChIKeyRWFNAAZDBOSSIY-GAJRHLONSA-N
XLogP0.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride?
The IUPAC name of (1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride (CID 163342230) is (1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride?
The canonical SMILES for (1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride is CC1(C)[C@@H]2[C@@H](C(=O)O)NC[C@H]21.Cl.
What is the InChIKey of (1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride?
The InChIKey is RWFNAAZDBOSSIY-GAJRHLONSA-N. The full InChI is 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+;/m1./s1.
What are the key properties of (1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride?
(1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 163342230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).