6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid

C11H18N2O3 — CID 18722110

IUPAC6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid
SMILESCNC1(C)CCC2CCC(C(=O)O)N2C1=O
InChIInChI=1S/C11H18N2O3/c1-11(12-2)6-5-7-3-4-8(9(14)15)13(7)10(11)16/h7-8,12H,3-6H2,1-2H3,(H,14,15)
InChIKeyXGGJIUNHZUDQLP-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.20
Rot. Bonds2

About 6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid

6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid (PubChem CID 18722110) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid
PubChem CID18722110
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid
SMILESCNC1(C)CCC2CCC(C(=O)O)N2C1=O
InChIInChI=1S/C11H18N2O3/c1-11(12-2)6-5-7-3-4-8(9(14)15)13(7)10(11)16/h7-8,12H,3-6H2,1-2H3,(H,14,15)
InChIKeyXGGJIUNHZUDQLP-UHFFFAOYSA-N
XLogP0.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid?
The IUPAC name of 6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid (CID 18722110) is 6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid?
The canonical SMILES for 6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid is CNC1(C)CCC2CCC(C(=O)O)N2C1=O.
What is the InChIKey of 6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid?
The InChIKey is XGGJIUNHZUDQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(12-2)6-5-7-3-4-8(9(14)15)13(7)10(11)16/h7-8,12H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid?
6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(methylamino)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid is sourced from PubChem (CID 18722110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).