(1R,7S)-4-azabicyclo[5.1.0]octane-8-carboxylic acid;hydrochloride

C8H14ClNO2 — CID 155821572

IUPAC(1R,7S)-4-azabicyclo[5.1.0]octane-8-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1[C@H]2CCNCC[C@@H]12
InChIInChI=1S/C8H13NO2.ClH/c10-8(11)7-5-1-3-9-4-2-6(5)7;/h5-7,9H,1-4H2,(H,10,11);1H/t5-,6+,7?;
InChIKeyQDYBIMQXNRERPZ-VPEOJXMDSA-N
MW191.66 g/mol
LogP0.74
Rot. Bonds1

About (1R,7S)-4-azabicyclo[5.1.0]octane-8-carboxylic acid;hydrochloride

(1R,7S)-4-azabicyclo[5.1.0]octane-8-carboxylic acid;hydrochloride (PubChem CID 155821572) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is (1R,7S)-4-azabicyclo[5.1.0]octane-8-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1R,7S)-4-azabicyclo[5.1.0]octane-8-carboxylic acid;hydrochloride
PubChem CID155821572
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name(1R,7S)-4-azabicyclo[5.1.0]octane-8-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1[C@H]2CCNCC[C@@H]12
InChIInChI=1S/C8H13NO2.ClH/c10-8(11)7-5-1-3-9-4-2-6(5)7;/h5-7,9H,1-4H2,(H,10,11);1H/t5-,6+,7?;
InChIKeyQDYBIMQXNRERPZ-VPEOJXMDSA-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,7S)-4-azabicyclo[5.1.0]octane-8-carboxylic acid;hydrochloride?
The IUPAC name of (1R,7S)-4-azabicyclo[5.1.0]octane-8-carboxylic acid;hydrochloride (CID 155821572) is (1R,7S)-4-azabicyclo[5.1.0]octane-8-carboxylic acid;hydrochloride.
What is the SMILES notation for (1R,7S)-4-azabicyclo[5.1.0]octane-8-carboxylic acid;hydrochloride?
The canonical SMILES for (1R,7S)-4-azabicyclo[5.1.0]octane-8-carboxylic acid;hydrochloride is Cl.O=C(O)C1[C@H]2CCNCC[C@@H]12.
What is the InChIKey of (1R,7S)-4-azabicyclo[5.1.0]octane-8-carboxylic acid;hydrochloride?
The InChIKey is QDYBIMQXNRERPZ-VPEOJXMDSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c10-8(11)7-5-1-3-9-4-2-6(5)7;/h5-7,9H,1-4H2,(H,10,11);1H/t5-,6+,7?;.
What are the key properties of (1R,7S)-4-azabicyclo[5.1.0]octane-8-carboxylic acid;hydrochloride?
(1R,7S)-4-azabicyclo[5.1.0]octane-8-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,7S)-4-azabicyclo[5.1.0]octane-8-carboxylic acid;hydrochloride is sourced from PubChem (CID 155821572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).