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

C11H14N2O3 — CID 59975131

IUPACmethyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCNc1ccc2n(c1=O)C(C(=O)OC)CC2
InChIInChI=1S/C11H14N2O3/c1-12-8-5-3-7-4-6-9(11(15)16-2)13(7)10(8)14/h3,5,9,12H,4,6H2,1-2H3
InChIKeyJKYJVMKEJKVGMU-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.55
Rot. Bonds2

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

methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 59975131) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
PubChem CID59975131
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCNc1ccc2n(c1=O)C(C(=O)OC)CC2
InChIInChI=1S/C11H14N2O3/c1-12-8-5-3-7-4-6-9(11(15)16-2)13(7)10(8)14/h3,5,9,12H,4,6H2,1-2H3
InChIKeyJKYJVMKEJKVGMU-UHFFFAOYSA-N
XLogP0.55
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S,4R)-4-{[(2-hydroxy-4,6-dimethyl-3-pyridinyl)carbonyl]amino}-1-methyl-2-pyrrolidinecarboxylate
CID 50975210
ethyl (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 15679348
6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 23559871
Methyl(3S)-5-oxo-1,2,3,5-tetrahydroindolizine-3-carboxylate
CID 57907618
(3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 59038146
methyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975100
8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 59975110
methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975114
methyl 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975119
methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975141
8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 59975149
(3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 68812487

Frequently Asked Questions

What is the IUPAC name of methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The IUPAC name of methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 59975131) is methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.
What is the SMILES notation for methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The canonical SMILES for methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is CNc1ccc2n(c1=O)C(C(=O)OC)CC2.
What is the InChIKey of methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The InChIKey is JKYJVMKEJKVGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-12-8-5-3-7-4-6-9(11(15)16-2)13(7)10(8)14/h3,5,9,12H,4,6H2,1-2H3.
What are the key properties of methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 59975131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).