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

C11H19NO2 — CID 23296137

IUPAC2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid
SMILESO=C(O)CC1CCN2CCCCC2C1
InChIInChI=1S/C11H19NO2/c13-11(14)8-9-4-6-12-5-2-1-3-10(12)7-9/h9-10H,1-8H2,(H,13,14)
InChIKeyQLCCMSWLJFXTGN-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.73
Rot. Bonds2

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

2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid (PubChem CID 23296137) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid
PubChem CID23296137
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid
SMILESO=C(O)CC1CCN2CCCCC2C1
InChIInChI=1S/C11H19NO2/c13-11(14)8-9-4-6-12-5-2-1-3-10(12)7-9/h9-10H,1-8H2,(H,13,14)
InChIKeyQLCCMSWLJFXTGN-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.73
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?
The IUPAC name of 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid (CID 23296137) is 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid.
What is the SMILES notation for 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid?
The canonical SMILES for 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid is 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?
The InChIKey is QLCCMSWLJFXTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(14)8-9-4-6-12-5-2-1-3-10(12)7-9/h9-10H,1-8H2,(H,13,14).
What are the key properties of 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid?
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.73, 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 is sourced from PubChem (CID 23296137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).