methyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate

C12H15NO4 — CID 122633668

IUPACmethyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate
SMILESCOC(=O)c1cc(O)c(=O)n2c1CC(C)(C)C2
InChIInChI=1S/C12H15NO4/c1-12(2)5-8-7(11(16)17-3)4-9(14)10(15)13(8)6-12/h4,14H,5-6H2,1-3H3
InChIKeySGZDVEPYUPIBAC-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.92
Rot. Bonds1

About methyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate

methyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate (PubChem CID 122633668) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate
PubChem CID122633668
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate
SMILESCOC(=O)c1cc(O)c(=O)n2c1CC(C)(C)C2
InChIInChI=1S/C12H15NO4/c1-12(2)5-8-7(11(16)17-3)4-9(14)10(15)13(8)6-12/h4,14H,5-6H2,1-3H3
InChIKeySGZDVEPYUPIBAC-UHFFFAOYSA-N
XLogP0.92
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate?
The IUPAC name of methyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate (CID 122633668) is methyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate?
The canonical SMILES for methyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate is COC(=O)c1cc(O)c(=O)n2c1CC(C)(C)C2.
What is the InChIKey of methyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate?
The InChIKey is SGZDVEPYUPIBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-12(2)5-8-7(11(16)17-3)4-9(14)10(15)13(8)6-12/h4,14H,5-6H2,1-3H3.
What are the key properties of methyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate?
methyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate is sourced from PubChem (CID 122633668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).