(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid

C9H15NO2 — CID 98202645

IUPAC(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]2CCCCN2C1
InChIInChI=1S/C9H15NO2/c11-9(12)7-5-8-3-1-2-4-10(8)6-7/h7-8H,1-6H2,(H,11,12)/t7-,8-/m1/s1
InChIKeyPTTFWJPLXOUJMB-HTQZYQBOSA-N
MW169.22 g/mol
LogP0.95
Rot. Bonds1

About (2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid

(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid (PubChem CID 98202645) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
PubChem CID98202645
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]2CCCCN2C1
InChIInChI=1S/C9H15NO2/c11-9(12)7-5-8-3-1-2-4-10(8)6-7/h7-8H,1-6H2,(H,11,12)/t7-,8-/m1/s1
InChIKeyPTTFWJPLXOUJMB-HTQZYQBOSA-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

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid
CID 165477842
(2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide
CID 95240709
3-(4-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695493
(2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide
CID 95240707
3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 70920708
(3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 70920669
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutane-1-carboxylic acid
CID 80996706
(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 129416087
1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid
CID 16637312
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129462245
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-2-carbothioamide
CID 18941091

Frequently Asked Questions

What is the IUPAC name of (2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid?
The IUPAC name of (2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid (CID 98202645) is (2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid.
What is the SMILES notation for (2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid?
The canonical SMILES for (2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H]2CCCCN2C1.
What is the InChIKey of (2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid?
The InChIKey is PTTFWJPLXOUJMB-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(12)7-5-8-3-1-2-4-10(8)6-7/h7-8H,1-6H2,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of (2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid?
(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-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 (2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid is sourced from PubChem (CID 98202645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).