lithium;methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid;hydroxide

C29H43LiN4O9 — CID 167666478

About lithium;methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid;hydroxide

lithium;methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid;hydroxide (PubChem CID 167666478) has the molecular formula C29H43LiN4O9 and a molecular weight of 598.62 g/mol. Its IUPAC name is lithium;methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid;hydroxide.

Molecular Properties

• Compound Name: lithium;methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid;hydroxide
• PubChem CID: 167666478
• Molecular Formula: C29H43LiN4O9
• Molecular Weight: 598.62 g/mol
• Exact Mass: 598.32
• IUPAC Name: lithium;methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid;hydroxide
• SMILES: CN(C(=O)OC(C)(C)C)[C@@H](Cc1cccnc1)C(=O)O.COC(=O)[C@H](Cc1cccnc1)N(C)C(=O)OC(C)(C)C.[Li+].[OH-]
• InChI: InChI=1S/C15H22N2O4.C14H20N2O4.Li.H2O/c1-15(2,3)21-14(19)17(4)12(13(18)20-5)9-11-7-6-8-16-10-11;1-14(2,3)20-13(19)16(4)11(12(17)18)8-10-6-5-7-15-9-10;;/h6-8,10,12H,9H2,1-5H3;5-7,9,11H,8H2,1-4H3,(H,17,18);;1H2/q;;+1;/p-1/t12-;11-;;/m00../s1
• InChIKey: SSHUZEYALYMERL-YOVJPDLHSA-M
• XLogP: 0.80
• TPSA: 178.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.62
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid;hydroxide?

The IUPAC name of lithium;methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid;hydroxide (CID 167666478) is lithium;methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid;hydroxide.

What is the SMILES notation for lithium;methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid;hydroxide?

The canonical SMILES for lithium;methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid;hydroxide is CN(C(=O)OC(C)(C)C)[C@@H](Cc1cccnc1)C(=O)O.COC(=O)[C@H](Cc1cccnc1)N(C)C(=O)OC(C)(C)C.[Li+].[OH-].

What is the InChIKey of lithium;methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid;hydroxide?

The InChIKey is SSHUZEYALYMERL-YOVJPDLHSA-M. The full InChI is InChI=1S/C15H22N2O4.C14H20N2O4.Li.H2O/c1-15(2,3)21-14(19)17(4)12(13(18)20-5)9-11-7-6-8-16-10-11;1-14(2,3)20-13(19)16(4)11(12(17)18)8-10-6-5-7-15-9-10;;/h6-8,10,12H,9H2,1-5H3;5-7,9,11H,8H2,1-4H3,(H,17,18);;1H2/q;;+1;/p-1/t12-;11-;;/m00../s1.

What are the key properties of lithium;methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid;hydroxide?

lithium;methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid;hydroxide has a molecular weight of 598.62 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid;hydroxide is sourced from PubChem (CID 167666478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).