2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid;hydrochloride

C11H20ClNO2 — CID 70109384

IUPAC2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1CCN2CCCCC2C1
InChIInChI=1S/C11H19NO2.ClH/c13-11(14)8-9-4-6-12-5-2-1-3-10(12)7-9;/h9-10H,1-8H2,(H,13,14);1H
InChIKeyWMBANFGHAZPABM-UHFFFAOYSA-N
MW233.74 g/mol
LogP2.15
Rot. Bonds2

About 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid;hydrochloride

2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid;hydrochloride (PubChem CID 70109384) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid;hydrochloride
PubChem CID70109384
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1CCN2CCCCC2C1
InChIInChI=1S/C11H19NO2.ClH/c13-11(14)8-9-4-6-12-5-2-1-3-10(12)7-9;/h9-10H,1-8H2,(H,13,14);1H
InChIKeyWMBANFGHAZPABM-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid;hydrochloride (CID 70109384) is 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid;hydrochloride is Cl.O=C(O)CC1CCN2CCCCC2C1.
What is the InChIKey of 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid;hydrochloride?
The InChIKey is WMBANFGHAZPABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c13-11(14)8-9-4-6-12-5-2-1-3-10(12)7-9;/h9-10H,1-8H2,(H,13,14);1H.
What are the key properties of 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid;hydrochloride?
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid;hydrochloride is sourced from PubChem (CID 70109384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).