lithium;methane;3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;methyl 3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;hydroxide;hydrate

C58H73LiN4O12 — CID 157085779

About lithium;methane;3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;methyl 3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;hydroxide;hydrate

lithium;methane;3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;methyl 3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;hydroxide;hydrate (PubChem CID 157085779) has the molecular formula C58H73LiN4O12 and a molecular weight of 1025.18 g/mol. Its IUPAC name is lithium;methane;3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;methyl 3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;methane;3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;methyl 3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;hydroxide;hydrate
• PubChem CID: 157085779
• Molecular Formula: C58H73LiN4O12
• Molecular Weight: 1025.18 g/mol
• Exact Mass: 1024.54
• IUPAC Name: lithium;methane;3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;methyl 3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;hydroxide;hydrate
• SMILES: C.COC(=O)CC(NC(=O)C(CC(C)C)n1ccccc1=O)c1ccc(OC)c(-c2ccccc2C)c1.COc1ccc(C(CC(=O)O)NC(=O)C(CC(C)C)n2ccccc2=O)cc1-c1ccccc1C.O.[Li+].[OH-]
• InChI: InChI=1S/C29H34N2O5.C28H32N2O5.CH4.Li.2H2O/c1-19(2)16-25(31-15-9-8-12-27(31)32)29(34)30-24(18-28(33)36-5)21-13-14-26(35-4)23(17-21)22-11-7-6-10-20(22)3;1-18(2)15-24(30-14-8-7-11-26(30)31)28(34)29-23(17-27(32)33)20-12-13-25(35-4)22(16-20)21-10-6-5-9-19(21)3;;;;/h6-15,17,19,24-25H,16,18H2,1-5H3,(H,30,34);5-14,16,18,23-24H,15,17H2,1-4H3,(H,29,34)(H,32,33);1H4;;2*1H2/q;;;+1;;/p-1
• InChIKey: QDQKAKDKEXSDKO-UHFFFAOYSA-M
• XLogP: 6.23
• TPSA: 245.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1025.18
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of lithium;methane;3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;methyl 3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;hydroxide;hydrate?

The IUPAC name of lithium;methane;3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;methyl 3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;hydroxide;hydrate (CID 157085779) is lithium;methane;3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;methyl 3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;hydroxide;hydrate.

What is the SMILES notation for lithium;methane;3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;methyl 3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;hydroxide;hydrate?

The canonical SMILES for lithium;methane;3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;methyl 3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;hydroxide;hydrate is C.COC(=O)CC(NC(=O)C(CC(C)C)n1ccccc1=O)c1ccc(OC)c(-c2ccccc2C)c1.COc1ccc(C(CC(=O)O)NC(=O)C(CC(C)C)n2ccccc2=O)cc1-c1ccccc1C.O.[Li+].[OH-].

What is the InChIKey of lithium;methane;3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;methyl 3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;hydroxide;hydrate?

The InChIKey is QDQKAKDKEXSDKO-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H34N2O5.C28H32N2O5.CH4.Li.2H2O/c1-19(2)16-25(31-15-9-8-12-27(31)32)29(34)30-24(18-28(33)36-5)21-13-14-26(35-4)23(17-21)22-11-7-6-10-20(22)3;1-18(2)15-24(30-14-8-7-11-26(30)31)28(34)29-23(17-27(32)33)20-12-13-25(35-4)22(16-20)21-10-6-5-9-19(21)3;;;;/h6-15,17,19,24-25H,16,18H2,1-5H3,(H,30,34);5-14,16,18,23-24H,15,17H2,1-4H3,(H,29,34)(H,32,33);1H4;;2*1H2/q;;;+1;;/p-1.

What are the key properties of lithium;methane;3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;methyl 3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;hydroxide;hydrate?

lithium;methane;3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;methyl 3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;hydroxide;hydrate has a molecular weight of 1025.18 g/mol, XLogP of 6.23, 20 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;methane;3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;methyl 3-[4-methoxy-3-(2-methylphenyl)phenyl]-3-[[4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;hydroxide;hydrate is sourced from PubChem (CID 157085779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).