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

C6H10ClNO2 — CID 20849999

IUPAC(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1NC[C@@H]2C[C@@H]21
InChIInChI=1S/C6H9NO2.ClH/c8-6(9)5-4-1-3(4)2-7-5;/h3-5,7H,1-2H2,(H,8,9);1H/t3-,4-,5-;/m0./s1
InChIKeyKWBHCTGCOVQKMK-SHLRHQAISA-N
MW163.60 g/mol
LogP0.10
Rot. Bonds1

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

(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride (PubChem CID 20849999) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride
PubChem CID20849999
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1NC[C@@H]2C[C@@H]21
InChIInChI=1S/C6H9NO2.ClH/c8-6(9)5-4-1-3(4)2-7-5;/h3-5,7H,1-2H2,(H,8,9);1H/t3-,4-,5-;/m0./s1
InChIKeyKWBHCTGCOVQKMK-SHLRHQAISA-N
XLogP0.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride?
The IUPAC name of (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride (CID 20849999) is (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride?
The canonical SMILES for (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@H]1NC[C@@H]2C[C@@H]21.
What is the InChIKey of (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride?
The InChIKey is KWBHCTGCOVQKMK-SHLRHQAISA-N. The full InChI is InChI=1S/C6H9NO2.ClH/c8-6(9)5-4-1-3(4)2-7-5;/h3-5,7H,1-2H2,(H,8,9);1H/t3-,4-,5-;/m0./s1.
What are the key properties of (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride?
(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride has a molecular weight of 163.60 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 20849999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).