8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid

C12H14N2O4 — CID 59975110

IUPAC8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESCNc1cc(C(C)=O)c2n(c1=O)C(C(=O)O)CC2
InChIInChI=1S/C12H14N2O4/c1-6(15)7-5-8(13-2)11(16)14-9(7)3-4-10(14)12(17)18/h5,10,13H,3-4H2,1-2H3,(H,17,18)
InChIKeyKOIDILDQRUGRJH-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.66
Rot. Bonds3

About 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid

8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (PubChem CID 59975110) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.

Molecular Properties

Compound Name8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
PubChem CID59975110
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESCNc1cc(C(C)=O)c2n(c1=O)C(C(=O)O)CC2
InChIInChI=1S/C12H14N2O4/c1-6(15)7-5-8(13-2)11(16)14-9(7)3-4-10(14)12(17)18/h5,10,13H,3-4H2,1-2H3,(H,17,18)
InChIKeyKOIDILDQRUGRJH-UHFFFAOYSA-N
XLogP0.66
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 23559871
[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-amino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 23559900
(2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54269835
(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54431635
(3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 59038146
(2S)-1-[(2S)-2-[(2,5-dimethylbenzene-4-ide-1-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;yttrium
CID 59696824
[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975104
methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975114
methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975131
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
6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 59975158

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The IUPAC name of 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (CID 59975110) is 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.
What is the SMILES notation for 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The canonical SMILES for 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is CNc1cc(C(C)=O)c2n(c1=O)C(C(=O)O)CC2.
What is the InChIKey of 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The InChIKey is KOIDILDQRUGRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-6(15)7-5-8(13-2)11(16)14-9(7)3-4-10(14)12(17)18/h5,10,13H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is sourced from PubChem (CID 59975110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).