1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid

C9H15NO2 — CID 82653045

IUPAC1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
SMILESO=C(O)C1CCN2CCCCC12
InChIInChI=1S/C9H15NO2/c11-9(12)7-4-6-10-5-2-1-3-8(7)10/h7-8H,1-6H2,(H,11,12)
InChIKeyIJEWKBRWDSZFEU-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.95
Rot. Bonds1

About 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid

1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid (PubChem CID 82653045) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid.

Molecular Properties

Compound Name1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
PubChem CID82653045
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
SMILESO=C(O)C1CCN2CCCCC12
InChIInChI=1S/C9H15NO2/c11-9(12)7-4-6-10-5-2-1-3-8(7)10/h7-8H,1-6H2,(H,11,12)
InChIKeyIJEWKBRWDSZFEU-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 82651829
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
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2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid
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2-(4,4-dimethylazepan-1-yl)cycloheptane-1-carboxylic acid
CID 65286391
2-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80997459
2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
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2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)cycloheptane-1-carboxylic acid
CID 63066915
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutane-1-carboxylic acid
CID 80996706
2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid
CID 63161343

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid?
The IUPAC name of 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid (CID 82653045) is 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid.
What is the SMILES notation for 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid?
The canonical SMILES for 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid is O=C(O)C1CCN2CCCCC12.
What is the InChIKey of 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid?
The InChIKey is IJEWKBRWDSZFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(12)7-4-6-10-5-2-1-3-8(7)10/h7-8H,1-6H2,(H,11,12).
What are the key properties of 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid?
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid is sourced from PubChem (CID 82653045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).