lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;methanol;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide

C52H65LiN2O19 — CID 159839216

About lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;methanol;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide

lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;methanol;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide (PubChem CID 159839216) has the molecular formula C52H65LiN2O19 and a molecular weight of 1030.03 g/mol. Its IUPAC name is lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;methanol;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide.

Molecular Properties

• Compound Name: lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;methanol;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide
• PubChem CID: 159839216
• Molecular Formula: C52H65LiN2O19
• Molecular Weight: 1030.03 g/mol
• Exact Mass: 1029.44
• IUPAC Name: lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;methanol;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide
• SMILES: CO.COC(=O)CCc1ccc(O)cc1.COC(=O)CCc1ccc(OC)cc1.COc1ccc(CCC(=O)O)cc1.COc1ccc(CCC(=O)ON2C(=O)CCC2=O)cc1.O=C1CCC(=O)N1O.[2H]C#C.[Li+].[OH-]
• InChI: InChI=1S/C14H15NO5.C11H14O3.2C10H12O3.C4H5NO3.C2H2.CH4O.Li.H2O/c1-19-11-5-2-10(3-6-11)4-9-14(18)20-15-12(16)7-8-13(15)17;1-13-10-6-3-9(4-7-10)5-8-11(12)14-2;1-13-9-5-2-8(3-6-9)4-7-10(11)12;1-13-10(12)7-4-8-2-5-9(11)6-3-8;6-3-1-2-4(7)5(3)8;2*1-2;;/h2-3,5-6H,4,7-9H2,1H3;3-4,6-7H,5,8H2,1-2H3;2-3,5-6H,4,7H2,1H3,(H,11,12);2-3,5-6,11H,4,7H2,1H3;8H,1-2H2;1-2H;2H,1H3;;1H2/q;;;;;;;+1;/p-1/i;;;;;1D
• InChIKey: NOLWNKVFTHTSFI-MQTHTPQTSA-M
• XLogP: 2.46
• TPSA: 309.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1030.03
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;methanol;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide?

The IUPAC name of lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;methanol;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide (CID 159839216) is lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;methanol;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide.

What is the SMILES notation for lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;methanol;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide?

The canonical SMILES for lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;methanol;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide is CO.COC(=O)CCc1ccc(O)cc1.COC(=O)CCc1ccc(OC)cc1.COc1ccc(CCC(=O)O)cc1.COc1ccc(CCC(=O)ON2C(=O)CCC2=O)cc1.O=C1CCC(=O)N1O.[2H]C#C.[Li+].[OH-].

What is the InChIKey of lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;methanol;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide?

The InChIKey is NOLWNKVFTHTSFI-MQTHTPQTSA-M. The full InChI is InChI=1S/C14H15NO5.C11H14O3.2C10H12O3.C4H5NO3.C2H2.CH4O.Li.H2O/c1-19-11-5-2-10(3-6-11)4-9-14(18)20-15-12(16)7-8-13(15)17;1-13-10-6-3-9(4-7-10)5-8-11(12)14-2;1-13-9-5-2-8(3-6-9)4-7-10(11)12;1-13-10(12)7-4-8-2-5-9(11)6-3-8;6-3-1-2-4(7)5(3)8;2*1-2;;/h2-3,5-6H,4,7-9H2,1H3;3-4,6-7H,5,8H2,1-2H3;2-3,5-6H,4,7H2,1H3,(H,11,12);2-3,5-6,11H,4,7H2,1H3;8H,1-2H2;1-2H;2H,1H3;;1H2/q;;;;;;;+1;/p-1/i;;;;;1D;;;.

What are the key properties of lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;methanol;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide?

lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;methanol;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide has a molecular weight of 1030.03 g/mol, XLogP of 2.46, 16 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;methanol;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide is sourced from PubChem (CID 159839216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).