lithium;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-ethoxycarbonyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate;hydroxide

C69H83LiN4O19 — CID 167610924

About lithium;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-ethoxycarbonyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate;hydroxide

lithium;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-ethoxycarbonyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate;hydroxide (PubChem CID 167610924) has the molecular formula C69H83LiN4O19 and a molecular weight of 1279.37 g/mol. Its IUPAC name is lithium;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-ethoxycarbonyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate;hydroxide.

Molecular Properties

• Compound Name: lithium;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-ethoxycarbonyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate;hydroxide
• PubChem CID: 167610924
• Molecular Formula: C69H83LiN4O19
• Molecular Weight: 1279.37 g/mol
• Exact Mass: 1278.58
• IUPAC Name: lithium;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-ethoxycarbonyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate;hydroxide
• SMILES: CCOC(=O)Oc1c(OC)ccnc1C(=O)C[C@@H](C)C(=O)O[C@@H](C)[C@@H](C)c1ccccc1C.COc1ccnc(C(=O)C[C@@H](C)C(=O)O[C@@H](C)[C@@H](C)c2ccccc2C)c1O.COc1ccnc2c(=O)n([C@@H](C)C(=O)O[C@@H](C)[C@@H](C)c3ccccc3C)c(=O)oc12.[Li+].[OH-]
• InChI: InChI=1S/C25H31NO7.C22H24N2O6.C22H27NO5.Li.H2O/c1-7-31-25(29)33-23-21(30-6)12-13-26-22(23)20(27)14-16(3)24(28)32-18(5)17(4)19-11-9-8-10-15(19)2;1-12-8-6-7-9-16(12)13(2)15(4)29-21(26)14(3)24-20(25)18-19(30-22(24)27)17(28-5)10-11-23-18;1-13-8-6-7-9-17(13)15(3)16(4)28-22(26)14(2)12-18(24)20-21(25)19(27-5)10-11-23-20;;/h8-13,16-18H,7,14H2,1-6H3;6-11,13-15H,1-5H3;6-11,14-16,25H,12H2,1-5H3;;1H2/q;;;+1;/p-1/t16-,17-,18+;13-,14+,15+;14-,15-,16+;;/m111../s1
• InChIKey: LAPGRWIJVSPNOH-KXXLTBORSA-M
• XLogP: 8.72
• TPSA: 317.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1279.37
LogP ≤ 5	8.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-ethoxycarbonyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate;hydroxide?

The IUPAC name of lithium;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-ethoxycarbonyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate;hydroxide (CID 167610924) is lithium;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-ethoxycarbonyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate;hydroxide.

What is the SMILES notation for lithium;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-ethoxycarbonyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate;hydroxide?

The canonical SMILES for lithium;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-ethoxycarbonyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate;hydroxide is CCOC(=O)Oc1c(OC)ccnc1C(=O)C[C@@H](C)C(=O)O[C@@H](C)[C@@H](C)c1ccccc1C.COc1ccnc(C(=O)C[C@@H](C)C(=O)O[C@@H](C)[C@@H](C)c2ccccc2C)c1O.COc1ccnc2c(=O)n([C@@H](C)C(=O)O[C@@H](C)[C@@H](C)c3ccccc3C)c(=O)oc12.[Li+].[OH-].

What is the InChIKey of lithium;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-ethoxycarbonyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate;hydroxide?

The InChIKey is LAPGRWIJVSPNOH-KXXLTBORSA-M. The full InChI is InChI=1S/C25H31NO7.C22H24N2O6.C22H27NO5.Li.H2O/c1-7-31-25(29)33-23-21(30-6)12-13-26-22(23)20(27)14-16(3)24(28)32-18(5)17(4)19-11-9-8-10-15(19)2;1-12-8-6-7-9-16(12)13(2)15(4)29-21(26)14(3)24-20(25)18-19(30-22(24)27)17(28-5)10-11-23-18;1-13-8-6-7-9-17(13)15(3)16(4)28-22(26)14(2)12-18(24)20-21(25)19(27-5)10-11-23-20;;/h8-13,16-18H,7,14H2,1-6H3;6-11,13-15H,1-5H3;6-11,14-16,25H,12H2,1-5H3;;1H2/q;;;+1;/p-1/t16-,17-,18+;13-,14+,15+;14-,15-,16+;;/m111../s1.

What are the key properties of lithium;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-ethoxycarbonyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate;hydroxide?

lithium;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-ethoxycarbonyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate;hydroxide has a molecular weight of 1279.37 g/mol, XLogP of 8.72, 24 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-ethoxycarbonyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-(2-methylphenyl)butan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate;hydroxide is sourced from PubChem (CID 167610924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).