2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid

C22H22N2O5 — CID 10524659

IUPAC2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid
SMILESCCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1CCc1ccccc1
InChIInChI=1S/C22H22N2O5/c1-2-15-16(11-10-14-7-4-3-5-8-14)24-12-6-9-17(29-13-18(25)26)20(24)19(15)21(27)22(23)28/h3-9,12H,2,10-11,13H2,1H3,(H2,23,28)(H,25,26)
InChIKeyGQHQYVUTXFSFSF-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.42
Rot. Bonds9

About 2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid

2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid (PubChem CID 10524659) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid
PubChem CID10524659
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid
SMILESCCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1CCc1ccccc1
InChIInChI=1S/C22H22N2O5/c1-2-15-16(11-10-14-7-4-3-5-8-14)24-12-6-9-17(29-13-18(25)26)20(24)19(15)21(27)22(23)28/h3-9,12H,2,10-11,13H2,1H3,(H2,23,28)(H,25,26)
InChIKeyGQHQYVUTXFSFSF-UHFFFAOYSA-N
XLogP2.42
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid 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

Varespladib
CID 155815
Varespladib Methyl
CID 9886917
Me-indoxam
CID 9803388
2-[2-Methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid
CID 9888132
Indoxam
CID 9911907
2-[2-Ethyl-1-oxamoyl-3-[[2-(phenylmethyl)phenyl]methyl]indolizin-8-yl]oxyacetic acid
CID 10389981
2-[[3-(2-amino-1,2-dioxoethyl)-2-methyl-1-(phenylmethyl)-1H-indol-4-yl]oxy]propanoic acid
CID 9800006
[1-Aminooxalyl-3-(3-chloro-benzyl)-2-ethyl-indolizin-8-yloxy]-acetic acid
CID 9801919
(1-Aminooxalyl-2-ethyl-3-naphthalen-1-ylmethyl-indolizin-8-yloxy)-acetic acid
CID 9802744
[[1-(1,2-Dioxo-2-aminoethyl)-2-ethyl-3-[3-(trifluoromethyl)benzyl]indolizin-8-yl]oxy]acetic acid
CID 9803692
[[3-(2-amino-1,2-dioxoethyl)-1-([1,1'-biphenyl]-2-ylmethyl)-2-cyclopropyl-1H-indol-4-yl]oxy]acetic acid
CID 9804663
[[3-(2-amino-1,2-dioxoethyl)-1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-4-yl]oxy]acetic acid
CID 9821429

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid?
The IUPAC name of 2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid (CID 10524659) is 2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid.
What is the SMILES notation for 2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid?
The canonical SMILES for 2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid is CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1CCc1ccccc1.
What is the InChIKey of 2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid?
The InChIKey is GQHQYVUTXFSFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-2-15-16(11-10-14-7-4-3-5-8-14)24-12-6-9-17(29-13-18(25)26)20(24)19(15)21(27)22(23)28/h3-9,12H,2,10-11,13H2,1H3,(H2,23,28)(H,25,26).
What are the key properties of 2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid?
2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid has a molecular weight of 394.43 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-1-oxamoyl-3-(2-phenylethyl)indolizin-8-yl]oxyacetic acid is sourced from PubChem (CID 10524659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).