6-amino-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid

C9H10N2O3 — CID 10750322

IUPAC6-amino-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
SMILESNc1cc(C(=O)O)c2n(c1=O)CCC2
InChIInChI=1S/C9H10N2O3/c10-6-4-5(9(13)14)7-2-1-3-11(7)8(6)12/h4H,1-3,10H2,(H,13,14)
InChIKeyXSCBIVUGSMDBOK-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.07
Rot. Bonds1

About 6-amino-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid

6-amino-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid (PubChem CID 10750322) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 6-amino-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
PubChem CID10750322
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name6-amino-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
SMILESNc1cc(C(=O)O)c2n(c1=O)CCC2
InChIInChI=1S/C9H10N2O3/c10-6-4-5(9(13)14)7-2-1-3-11(7)8(6)12/h4H,1-3,10H2,(H,13,14)
InChIKeyXSCBIVUGSMDBOK-UHFFFAOYSA-N
XLogP0.07
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The IUPAC name of 6-amino-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid (CID 10750322) is 6-amino-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid.
What is the SMILES notation for 6-amino-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The canonical SMILES for 6-amino-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid is Nc1cc(C(=O)O)c2n(c1=O)CCC2.
What is the InChIKey of 6-amino-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The InChIKey is XSCBIVUGSMDBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-6-4-5(9(13)14)7-2-1-3-11(7)8(6)12/h4H,1-3,10H2,(H,13,14).
What are the key properties of 6-amino-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
6-amino-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid is sourced from PubChem (CID 10750322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).