lithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide

C63H67LiN8O11 — CID 161006293

IUPAClithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide
SMILESCOC(=O)CCc1cccn2c(Cc3ccccc3)c(C)c(C(=O)C(N)=O)c12.COC(=O)CNc1cccn2c(Cc3ccccc3)c(C)c(CC(N)=O)c12.Cc1c(CC(N)=O)c2c(NCC(=O)O)cccn2c1Cc1ccccc1.[Li+].[OH-]
InChIInChI=1S/C22H22N2O4.C21H23N3O3.C20H21N3O3.Li.H2O/c1-14-17(13-15-7-4-3-5-8-15)24-12-6-9-16(10-11-18(25)28-2)20(24)19(14)21(26)22(23)27;1-14-16(12-19(22)25)21-17(23-13-20(26)27-2)9-6-10-24(21)18(14)11-15-7-4-3-5-8-15;1-13-15(11-18(21)24)20-16(22-12-19(25)26)8-5-9-23(20)17(13)10-14-6-3-2-4-7-14;;/h3-9,12H,10-11,13H2,1-2H3,(H2,23,27);3-10,23H,11-13H2,1-2H3,(H2,22,25);2-9,22H,10-12H2,1H3,(H2,21,24)(H,25,26);;1H2/q;;;+1;/p-1
InChIKeyTWNSRYYTBYDSAD-UHFFFAOYSA-M
MW1119.21 g/mol
LogP4.25
Rot. Bonds21

About lithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide

lithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide (PubChem CID 161006293) has the molecular formula C63H67LiN8O11 and a molecular weight of 1119.21 g/mol. Its IUPAC name is lithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide.

Molecular Properties

Compound Namelithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide
PubChem CID161006293
Molecular FormulaC63H67LiN8O11
Molecular Weight1119.21 g/mol
Exact Mass1118.51
IUPAC Namelithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide
SMILESCOC(=O)CCc1cccn2c(Cc3ccccc3)c(C)c(C(=O)C(N)=O)c12.COC(=O)CNc1cccn2c(Cc3ccccc3)c(C)c(CC(N)=O)c12.Cc1c(CC(N)=O)c2c(NCC(=O)O)cccn2c1Cc1ccccc1.[Li+].[OH-]
InChIInChI=1S/C22H22N2O4.C21H23N3O3.C20H21N3O3.Li.H2O/c1-14-17(13-15-7-4-3-5-8-15)24-12-6-9-16(10-11-18(25)28-2)20(24)19(14)21(26)22(23)27;1-14-16(12-19(22)25)21-17(23-13-20(26)27-2)9-6-10-24(21)18(14)11-15-7-4-3-5-8-15;1-13-15(11-18(21)24)20-16(22-12-19(25)26)8-5-9-23(20)17(13)10-14-6-3-2-4-7-14;;/h3-9,12H,10-11,13H2,1-2H3,(H2,23,27);3-10,23H,11-13H2,1-2H3,(H2,22,25);2-9,22H,10-12H2,1H3,(H2,21,24)(H,25,26);;1H2/q;;;+1;/p-1
InChIKeyTWNSRYYTBYDSAD-UHFFFAOYSA-M
XLogP4.25
TPSA303.53 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001119.21
LogP ≤ 54.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze lithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide?
The IUPAC name of lithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide (CID 161006293) is lithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide.
What is the SMILES notation for lithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide?
The canonical SMILES for lithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide is COC(=O)CCc1cccn2c(Cc3ccccc3)c(C)c(C(=O)C(N)=O)c12.COC(=O)CNc1cccn2c(Cc3ccccc3)c(C)c(CC(N)=O)c12.Cc1c(CC(N)=O)c2c(NCC(=O)O)cccn2c1Cc1ccccc1.[Li+].[OH-].
What is the InChIKey of lithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide?
The InChIKey is TWNSRYYTBYDSAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H22N2O4.C21H23N3O3.C20H21N3O3.Li.H2O/c1-14-17(13-15-7-4-3-5-8-15)24-12-6-9-16(10-11-18(25)28-2)20(24)19(14)21(26)22(23)27;1-14-16(12-19(22)25)21-17(23-13-20(26)27-2)9-6-10-24(21)18(14)11-15-7-4-3-5-8-15;1-13-15(11-18(21)24)20-16(22-12-19(25)26)8-5-9-23(20)17(13)10-14-6-3-2-4-7-14;;/h3-9,12H,10-11,13H2,1-2H3,(H2,23,27);3-10,23H,11-13H2,1-2H3,(H2,22,25);2-9,22H,10-12H2,1H3,(H2,21,24)(H,25,26);;1H2/q;;;+1;/p-1.
What are the key properties of lithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide?
lithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide has a molecular weight of 1119.21 g/mol, XLogP of 4.25, 21 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetic acid;methyl 2-[[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindolizin-8-yl]amino]acetate;methyl 3-(3-benzyl-2-methyl-1-oxamoylindolizin-8-yl)propanoate;hydroxide is sourced from PubChem (CID 161006293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).