methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

C11H15N3O3 — CID 59975141

IUPACmethyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCNc1cc(N)c2n(c1=O)C(C(=O)OC)CC2
InChIInChI=1S/C11H15N3O3/c1-13-7-5-6(12)8-3-4-9(11(16)17-2)14(8)10(7)15/h5,9,13H,3-4,12H2,1-2H3
InChIKeyGQACBXRXKRHWDK-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.13
Rot. Bonds2

About methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 59975141) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
PubChem CID59975141
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCNc1cc(N)c2n(c1=O)C(C(=O)OC)CC2
InChIInChI=1S/C11H15N3O3/c1-13-7-5-6(12)8-3-4-9(11(16)17-2)14(8)10(7)15/h5,9,13H,3-4,12H2,1-2H3
InChIKeyGQACBXRXKRHWDK-UHFFFAOYSA-N
XLogP0.13
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The IUPAC name of methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 59975141) is methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.
What is the SMILES notation for methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The canonical SMILES for methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is CNc1cc(N)c2n(c1=O)C(C(=O)OC)CC2.
What is the InChIKey of methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The InChIKey is GQACBXRXKRHWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13-7-5-6(12)8-3-4-9(11(16)17-2)14(8)10(7)15/h5,9,13H,3-4,12H2,1-2H3.
What are the key properties of methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 59975141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).