lithium;1-[3-(4-aminophenyl)propanoyl]azetidin-2-one;azetidin-2-one;butane;1,4-dioxane-2,6-dione;3-(4-nitrophenyl)propanoic acid;1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one;3-(4-nitrophenyl)propanoyl chloride;2-[2-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propoxy]acetic acid;thionyl dichloride;chloride

C70H80Cl4LiN8O25S- — CID 158840953

About lithium;1-[3-(4-aminophenyl)propanoyl]azetidin-2-one;azetidin-2-one;butane;1,4-dioxane-2,6-dione;3-(4-nitrophenyl)propanoic acid;1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one;3-(4-nitrophenyl)propanoyl chloride;2-[2-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propoxy]acetic acid;thionyl dichloride;chloride

lithium;1-[3-(4-aminophenyl)propanoyl]azetidin-2-one;azetidin-2-one;butane;1,4-dioxane-2,6-dione;3-(4-nitrophenyl)propanoic acid;1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one;3-(4-nitrophenyl)propanoyl chloride;2-[2-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propoxy]acetic acid;thionyl dichloride;chloride (PubChem CID 158840953) has the molecular formula C70H80Cl4LiN8O25S- and a molecular weight of 1614.26 g/mol. Its IUPAC name is lithium;1-[3-(4-aminophenyl)propanoyl]azetidin-2-one;azetidin-2-one;butane;1,4-dioxane-2,6-dione;3-(4-nitrophenyl)propanoic acid;1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one;3-(4-nitrophenyl)propanoyl chloride;2-[2-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propoxy]acetic acid;thionyl dichloride;chloride.

Molecular Properties

• Compound Name: lithium;1-[3-(4-aminophenyl)propanoyl]azetidin-2-one;azetidin-2-one;butane;1,4-dioxane-2,6-dione;3-(4-nitrophenyl)propanoic acid;1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one;3-(4-nitrophenyl)propanoyl chloride;2-[2-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propoxy]acetic acid;thionyl dichloride;chloride
• PubChem CID: 158840953
• Molecular Formula: C70H80Cl4LiN8O25S-
• Molecular Weight: 1614.26 g/mol
• Exact Mass: 1611.39
• IUPAC Name: lithium;1-[3-(4-aminophenyl)propanoyl]azetidin-2-one;azetidin-2-one;butane;1,4-dioxane-2,6-dione;3-(4-nitrophenyl)propanoic acid;1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one;3-(4-nitrophenyl)propanoyl chloride;2-[2-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propoxy]acetic acid;thionyl dichloride;chloride
• SMILES: Nc1ccc(CCC(=O)N2CCC2=O)cc1.O=C(CCc1ccc([N+](=O)[O-])cc1)N1CCC1=O.O=C(Cl)CCc1ccc([N+](=O)[O-])cc1.O=C(O)CCc1ccc([N+](=O)[O-])cc1.O=C(O)COCC(=O)Cc1ccc(CCC(=O)N2CCC2=O)cc1.O=C1CCN1.O=C1COCC(=O)O1.O=S(Cl)Cl.[CH2-]CCC.[Cl-].[Li+]
• InChI: InChI=1S/C17H19NO6.C12H12N2O4.C12H14N2O2.C9H8ClNO3.C9H9NO4.C4H4O4.C4H9.C3H5NO.Cl2OS.ClH.Li/c19-14(10-24-11-17(22)23)9-13-3-1-12(2-4-13)5-6-15(20)18-8-7-16(18)21;15-11(13-8-7-12(13)16)6-3-9-1-4-10(5-2-9)14(17)18;13-10-4-1-9(2-5-10)3-6-11(15)14-8-7-12(14)16;10-9(12)6-3-7-1-4-8(5-2-7)11(13)14;11-9(12)6-3-7-1-4-8(5-2-7)10(13)14;5-3-1-7-2-4(6)8-3;1-3-4-2;5-3-1-2-4-3;1-4(2)3;;/h1-4H,5-11H2,(H,22,23);1-2,4-5H,3,6-8H2;1-2,4-5H,3,6-8,13H2;1-2,4-5H,3,6H2;1-2,4-5H,3,6H2,(H,11,12);1-2H2;1,3-4H2,2H3;1-2H2,(H,4,5);;1H;/q;;;;;;-1;;;;+1/p-1
• InChIKey: XGCYAEZVROKJIW-UHFFFAOYSA-M
• XLogP: 2.01
• TPSA: 484.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1614.26
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;1-[3-(4-aminophenyl)propanoyl]azetidin-2-one;azetidin-2-one;butane;1,4-dioxane-2,6-dione;3-(4-nitrophenyl)propanoic acid;1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one;3-(4-nitrophenyl)propanoyl chloride;2-[2-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propoxy]acetic acid;thionyl dichloride;chloride?

The IUPAC name of lithium;1-[3-(4-aminophenyl)propanoyl]azetidin-2-one;azetidin-2-one;butane;1,4-dioxane-2,6-dione;3-(4-nitrophenyl)propanoic acid;1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one;3-(4-nitrophenyl)propanoyl chloride;2-[2-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propoxy]acetic acid;thionyl dichloride;chloride (CID 158840953) is lithium;1-[3-(4-aminophenyl)propanoyl]azetidin-2-one;azetidin-2-one;butane;1,4-dioxane-2,6-dione;3-(4-nitrophenyl)propanoic acid;1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one;3-(4-nitrophenyl)propanoyl chloride;2-[2-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propoxy]acetic acid;thionyl dichloride;chloride.

What is the SMILES notation for lithium;1-[3-(4-aminophenyl)propanoyl]azetidin-2-one;azetidin-2-one;butane;1,4-dioxane-2,6-dione;3-(4-nitrophenyl)propanoic acid;1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one;3-(4-nitrophenyl)propanoyl chloride;2-[2-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propoxy]acetic acid;thionyl dichloride;chloride?

The canonical SMILES for lithium;1-[3-(4-aminophenyl)propanoyl]azetidin-2-one;azetidin-2-one;butane;1,4-dioxane-2,6-dione;3-(4-nitrophenyl)propanoic acid;1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one;3-(4-nitrophenyl)propanoyl chloride;2-[2-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propoxy]acetic acid;thionyl dichloride;chloride is Nc1ccc(CCC(=O)N2CCC2=O)cc1.O=C(CCc1ccc([N+](=O)[O-])cc1)N1CCC1=O.O=C(Cl)CCc1ccc([N+](=O)[O-])cc1.O=C(O)CCc1ccc([N+](=O)[O-])cc1.O=C(O)COCC(=O)Cc1ccc(CCC(=O)N2CCC2=O)cc1.O=C1CCN1.O=C1COCC(=O)O1.O=S(Cl)Cl.[CH2-]CCC.[Cl-].[Li+].

What is the InChIKey of lithium;1-[3-(4-aminophenyl)propanoyl]azetidin-2-one;azetidin-2-one;butane;1,4-dioxane-2,6-dione;3-(4-nitrophenyl)propanoic acid;1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one;3-(4-nitrophenyl)propanoyl chloride;2-[2-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propoxy]acetic acid;thionyl dichloride;chloride?

The InChIKey is XGCYAEZVROKJIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19NO6.C12H12N2O4.C12H14N2O2.C9H8ClNO3.C9H9NO4.C4H4O4.C4H9.C3H5NO.Cl2OS.ClH.Li/c19-14(10-24-11-17(22)23)9-13-3-1-12(2-4-13)5-6-15(20)18-8-7-16(18)21;15-11(13-8-7-12(13)16)6-3-9-1-4-10(5-2-9)14(17)18;13-10-4-1-9(2-5-10)3-6-11(15)14-8-7-12(14)16;10-9(12)6-3-7-1-4-8(5-2-7)11(13)14;11-9(12)6-3-7-1-4-8(5-2-7)10(13)14;5-3-1-7-2-4(6)8-3;1-3-4-2;5-3-1-2-4-3;1-4(2)3;;/h1-4H,5-11H2,(H,22,23);1-2,4-5H,3,6-8H2;1-2,4-5H,3,6-8,13H2;1-2,4-5H,3,6H2;1-2,4-5H,3,6H2,(H,11,12);1-2H2;1,3-4H2,2H3;1-2H2,(H,4,5);;1H;/q;;;;;;-1;;;;+1/p-1.

What are the key properties of lithium;1-[3-(4-aminophenyl)propanoyl]azetidin-2-one;azetidin-2-one;butane;1,4-dioxane-2,6-dione;3-(4-nitrophenyl)propanoic acid;1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one;3-(4-nitrophenyl)propanoyl chloride;2-[2-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propoxy]acetic acid;thionyl dichloride;chloride?

lithium;1-[3-(4-aminophenyl)propanoyl]azetidin-2-one;azetidin-2-one;butane;1,4-dioxane-2,6-dione;3-(4-nitrophenyl)propanoic acid;1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one;3-(4-nitrophenyl)propanoyl chloride;2-[2-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propoxy]acetic acid;thionyl dichloride;chloride has a molecular weight of 1614.26 g/mol, XLogP of 2.01, 25 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;1-[3-(4-aminophenyl)propanoyl]azetidin-2-one;azetidin-2-one;butane;1,4-dioxane-2,6-dione;3-(4-nitrophenyl)propanoic acid;1-[3-(4-nitrophenyl)propanoyl]azetidin-2-one;3-(4-nitrophenyl)propanoyl chloride;2-[2-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propoxy]acetic acid;thionyl dichloride;chloride is sourced from PubChem (CID 158840953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).