1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid

C12H20N2O2 — CID 165477842

IUPAC1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C2CC3CCCCN3C2)C1
InChIInChI=1S/C12H20N2O2/c15-12(16)9-6-14(7-9)11-5-10-3-1-2-4-13(10)8-11/h9-11H,1-8H2,(H,15,16)
InChIKeyBTXRLDAIVKHJRK-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.63
Rot. Bonds2

About 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid (PubChem CID 165477842) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid
PubChem CID165477842
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C2CC3CCCCN3C2)C1
InChIInChI=1S/C12H20N2O2/c15-12(16)9-6-14(7-9)11-5-10-3-1-2-4-13(10)8-11/h9-11H,1-8H2,(H,15,16)
InChIKeyBTXRLDAIVKHJRK-UHFFFAOYSA-N
XLogP0.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645
(2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide
CID 95240709
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutane-1-carboxylic acid
CID 80996706
1-azabicyclo[9.1.0]dodecane
CID 87228787
2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol
CID 165470380
1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid
CID 107430456
1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid
CID 16637312
4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid
CID 139534258
3-(4-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695493
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129462245
1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid
CID 65056040

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid (CID 165477842) is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid is O=C(O)C1CN(C2CC3CCCCN3C2)C1.
What is the InChIKey of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid?
The InChIKey is BTXRLDAIVKHJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12(16)9-6-14(7-9)11-5-10-3-1-2-4-13(10)8-11/h9-11H,1-8H2,(H,15,16).
What are the key properties of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid?
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid has a molecular weight of 224.30 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid is sourced from PubChem (CID 165477842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).