2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid

C127H132N12O30 — CID 90820491

IUPAC2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid
SMILESCCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1CC1CCC(C)CC1.CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1ccc(C)cc1.CCc1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn12.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1CC1CCCCC1.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1ccccc1-c1ccccc1.NC(=O)C(=O)c1c(C2CC2)c(Cc2ccccc2)n2cccc(OCC(=O)O)c12
InChIInChI=1S/C26H22N2O5.C22H20N2O5.C22H28N2O5.C22H22N2O5.C20H24N2O5.C15H16N2O5/c1-16-20(14-18-10-5-6-11-19(18)17-8-3-2-4-9-17)28-13-7-12-21(33-15-22(29)30)24(28)23(16)25(31)26(27)32;23-22(28)21(27)19-18(14-8-9-14)15(11-13-5-2-1-3-6-13)24-10-4-7-16(20(19)24)29-12-17(25)26;2*1-3-15-16(11-14-8-6-13(2)7-9-14)24-10-4-5-17(29-12-18(25)26)20(24)19(15)21(27)22(23)28;1-12-14(10-13-6-3-2-4-7-13)22-9-5-8-15(27-11-16(23)24)18(22)17(12)19(25)20(21)26;1-3-9-8(2)12(14(20)15(16)21)13-10(22-7-11(18)19)5-4-6-17(9)13/h2-13H,14-15H2,1H3,(H2,27,32)(H,29,30);1-7,10,14H,8-9,11-12H2,(H2,23,28)(H,25,26);4-5,10,13-14H,3,6-9,11-12H2,1-2H3,(H2,23,28)(H,25,26);4-10H,3,11-12H2,1-2H3,(H2,23,28)(H,25,26);5,8-9,13H,2-4,6-7,10-11H2,1H3,(H2,21,26)(H,23,24);4-6H,3,7H2,1-2H3,(H2,16,21)(H,18,19)
InChIKeyVRIKAFFFKQMPBI-UHFFFAOYSA-N
MW2306.51 g/mol
LogP15.15
Rot. Bonds45

About 2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid

2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid (PubChem CID 90820491) has the molecular formula C127H132N12O30 and a molecular weight of 2306.51 g/mol. Its IUPAC name is 2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid.

Molecular Properties

Compound Name2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid
PubChem CID90820491
Molecular FormulaC127H132N12O30
Molecular Weight2306.51 g/mol
Exact Mass2304.92
IUPAC Name2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid
SMILESCCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1CC1CCC(C)CC1.CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1ccc(C)cc1.CCc1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn12.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1CC1CCCCC1.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1ccccc1-c1ccccc1.NC(=O)C(=O)c1c(C2CC2)c(Cc2ccccc2)n2cccc(OCC(=O)O)c12
InChIInChI=1S/C26H22N2O5.C22H20N2O5.C22H28N2O5.C22H22N2O5.C20H24N2O5.C15H16N2O5/c1-16-20(14-18-10-5-6-11-19(18)17-8-3-2-4-9-17)28-13-7-12-21(33-15-22(29)30)24(28)23(16)25(31)26(27)32;23-22(28)21(27)19-18(14-8-9-14)15(11-13-5-2-1-3-6-13)24-10-4-7-16(20(19)24)29-12-17(25)26;2*1-3-15-16(11-14-8-6-13(2)7-9-14)24-10-4-5-17(29-12-18(25)26)20(24)19(15)21(27)22(23)28;1-12-14(10-13-6-3-2-4-7-13)22-9-5-8-15(27-11-16(23)24)18(22)17(12)19(25)20(21)26;1-3-9-8(2)12(14(20)15(16)21)13-10(22-7-11(18)19)5-4-6-17(9)13/h2-13H,14-15H2,1H3,(H2,27,32)(H,29,30);1-7,10,14H,8-9,11-12H2,(H2,23,28)(H,25,26);4-5,10,13-14H,3,6-9,11-12H2,1-2H3,(H2,23,28)(H,25,26);4-10H,3,11-12H2,1-2H3,(H2,23,28)(H,25,26);5,8-9,13H,2-4,6-7,10-11H2,1H3,(H2,21,26)(H,23,24);4-6H,3,7H2,1-2H3,(H2,16,21)(H,18,19)
InChIKeyVRIKAFFFKQMPBI-UHFFFAOYSA-N
XLogP15.15
TPSA666.60 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds45
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002306.51
LogP ≤ 515.15
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid with MolForge

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Related Compounds

2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
CID 20592745
2-oxopropyl 2-[2-ethyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetate
CID 18771215
2-[[carboxy(hydroxy)methyl]-[2-[8-(carboxymethoxy)-2-ethyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetyl]amino]-2-hydroxyacetic acid
CID 57001061
4-(3-benzyl-2-ethyl-1-oxamoylindolizin-8-yl)oxybutanoic acid
CID 20592756
2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride
CID 10766033
2-[3-(cyclopentylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride
CID 10669989
(1-methylcyclopentyl) 2-[2-[2-ethyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetyl]oxypropanoate
CID 18771217
2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
CID 18771269
2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide
CID 10576018
2-[2-ethyl-1-(oxaldehydoylamino)-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid
CID 54321841
2-(3,6-dibenzyl-7-ethyl-8-oxamoylpyrrolo[1,2-a]pyrazin-1-yl)oxyacetic acid
CID 22449253
2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid
CID 10160635

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid?
The IUPAC name of 2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid (CID 90820491) is 2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid.
What is the SMILES notation for 2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid?
The canonical SMILES for 2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid is CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1CC1CCC(C)CC1.CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1ccc(C)cc1.CCc1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn12.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1CC1CCCCC1.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1ccccc1-c1ccccc1.NC(=O)C(=O)c1c(C2CC2)c(Cc2ccccc2)n2cccc(OCC(=O)O)c12.
What is the InChIKey of 2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid?
The InChIKey is VRIKAFFFKQMPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O5.C22H20N2O5.C22H28N2O5.C22H22N2O5.C20H24N2O5.C15H16N2O5/c1-16-20(14-18-10-5-6-11-19(18)17-8-3-2-4-9-17)28-13-7-12-21(33-15-22(29)30)24(28)23(16)25(31)26(27)32;23-22(28)21(27)19-18(14-8-9-14)15(11-13-5-2-1-3-6-13)24-10-4-7-16(20(19)24)29-12-17(25)26;2*1-3-15-16(11-14-8-6-13(2)7-9-14)24-10-4-5-17(29-12-18(25)26)20(24)19(15)21(27)22(23)28;1-12-14(10-13-6-3-2-4-7-13)22-9-5-8-15(27-11-16(23)24)18(22)17(12)19(25)20(21)26;1-3-9-8(2)12(14(20)15(16)21)13-10(22-7-11(18)19)5-4-6-17(9)13/h2-13H,14-15H2,1H3,(H2,27,32)(H,29,30);1-7,10,14H,8-9,11-12H2,(H2,23,28)(H,25,26);4-5,10,13-14H,3,6-9,11-12H2,1-2H3,(H2,23,28)(H,25,26);4-10H,3,11-12H2,1-2H3,(H2,23,28)(H,25,26);5,8-9,13H,2-4,6-7,10-11H2,1H3,(H2,21,26)(H,23,24);4-6H,3,7H2,1-2H3,(H2,16,21)(H,18,19).
What are the key properties of 2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid?
2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid has a molecular weight of 2306.51 g/mol, XLogP of 15.15, 45 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid is sourced from PubChem (CID 90820491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).