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

C10H12N2O3 — CID 23559871

IUPAC6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESCNc1ccc2n(c1=O)C(C(=O)O)CC2
InChIInChI=1S/C10H12N2O3/c1-11-7-4-2-6-3-5-8(10(14)15)12(6)9(7)13/h2,4,8,11H,3,5H2,1H3,(H,14,15)
InChIKeyVLADDVZEJBGFTA-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.46
Rot. Bonds2

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

6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (PubChem CID 23559871) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.

Molecular Properties

Compound Name6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
PubChem CID23559871
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESCNc1ccc2n(c1=O)C(C(=O)O)CC2
InChIInChI=1S/C10H12N2O3/c1-11-7-4-2-6-3-5-8(10(14)15)12(6)9(7)13/h2,4,8,11H,3,5H2,1H3,(H,14,15)
InChIKeyVLADDVZEJBGFTA-UHFFFAOYSA-N
XLogP0.46
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The IUPAC name of 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (CID 23559871) is 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.
What is the SMILES notation for 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The canonical SMILES for 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is CNc1ccc2n(c1=O)C(C(=O)O)CC2.
What is the InChIKey of 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The InChIKey is VLADDVZEJBGFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-11-7-4-2-6-3-5-8(10(14)15)12(6)9(7)13/h2,4,8,11H,3,5H2,1H3,(H,14,15).
What are the key properties of 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is sourced from PubChem (CID 23559871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).