lithium;acetyl acetate;(2S)-2-amino-3-[5-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-2-(chloroamino)-3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl (2S)-3-[5-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;hydroxide

C72H110Cl2LiN17O18 — CID 159854026

About lithium;acetyl acetate;(2S)-2-amino-3-[5-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-2-(chloroamino)-3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl (2S)-3-[5-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;hydroxide

lithium;acetyl acetate;(2S)-2-amino-3-[5-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-2-(chloroamino)-3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl (2S)-3-[5-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;hydroxide (PubChem CID 159854026) has the molecular formula C72H110Cl2LiN17O18 and a molecular weight of 1579.62 g/mol. Its IUPAC name is lithium;acetyl acetate;(2S)-2-amino-3-[5-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-2-(chloroamino)-3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl (2S)-3-[5-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;hydroxide.

Molecular Properties

• Compound Name: lithium;acetyl acetate;(2S)-2-amino-3-[5-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-2-(chloroamino)-3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl (2S)-3-[5-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;hydroxide
• PubChem CID: 159854026
• Molecular Formula: C72H110Cl2LiN17O18
• Molecular Weight: 1579.62 g/mol
• Exact Mass: 1577.78
• IUPAC Name: lithium;acetyl acetate;(2S)-2-amino-3-[5-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-2-(chloroamino)-3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl (2S)-3-[5-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;hydroxide
• SMILES: C.C.C.C.C.C.CC(=O)OC(C)=O.COC(=O)[C@@H](C)Cc1ccc(CCl)cn1.COC(=O)[C@@H](C)Cc1ccc(CN=[N+]=[N-])cn1.COC(=O)[C@@H](C)Cc1ccc(CO)cn1.COC(=O)[C@H](Cc1ccc(CO)cn1)NCl.C[C@@H](Cc1ccc(CN=[N+]=[N-])cn1)C(=O)O.[Li+].[N-]=[N+]=NCc1ccc(C[C@H](N)C(=O)O)nc1.[OH-]
• InChI: InChI=1S/C11H14ClNO2.C11H14N4O2.C11H15NO3.C10H13ClN2O3.C10H12N4O2.C9H11N5O2.C4H6O3.6CH4.Li.H2O/c1-8(11(14)15-2)5-10-4-3-9(6-12)7-13-10;1-8(11(16)17-2)5-10-4-3-9(6-13-10)7-14-15-12;1-8(11(14)15-2)5-10-4-3-9(7-13)6-12-10;1-16-10(15)9(13-11)4-8-3-2-7(6-14)5-12-8;1-7(10(15)16)4-9-3-2-8(5-12-9)6-13-14-11;10-8(9(15)16)3-7-2-1-6(4-12-7)5-13-14-11;1-3(5)7-4(2)6;;;;;;;;/h3-4,7-8H,5-6H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;3-4,6,8,13H,5,7H2,1-2H3;2-3,5,9,13-14H,4,6H2,1H3;2-3,5,7H,4,6H2,1H3,(H,15,16);1-2,4,8H,3,5,10H2,(H,15,16);1-2H3;6*1H4;;1H2/q;;;;;;;;;;;;;+1;/p-1/t3*8-;9-;7-;8-;;;;;;;;;/m000000........./s1
• InChIKey: NQHJSOMESFVVSP-QCYQGVFSSA-M
• XLogP: 9.48
• TPSA: 555.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1579.62
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;acetyl acetate;(2S)-2-amino-3-[5-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-2-(chloroamino)-3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl (2S)-3-[5-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;hydroxide?

The IUPAC name of lithium;acetyl acetate;(2S)-2-amino-3-[5-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-2-(chloroamino)-3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl (2S)-3-[5-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;hydroxide (CID 159854026) is lithium;acetyl acetate;(2S)-2-amino-3-[5-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-2-(chloroamino)-3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl (2S)-3-[5-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;hydroxide.

What is the SMILES notation for lithium;acetyl acetate;(2S)-2-amino-3-[5-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-2-(chloroamino)-3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl (2S)-3-[5-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;hydroxide?

The canonical SMILES for lithium;acetyl acetate;(2S)-2-amino-3-[5-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-2-(chloroamino)-3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl (2S)-3-[5-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;hydroxide is C.C.C.C.C.C.CC(=O)OC(C)=O.COC(=O)[C@@H](C)Cc1ccc(CCl)cn1.COC(=O)[C@@H](C)Cc1ccc(CN=[N+]=[N-])cn1.COC(=O)[C@@H](C)Cc1ccc(CO)cn1.COC(=O)[C@H](Cc1ccc(CO)cn1)NCl.C[C@@H](Cc1ccc(CN=[N+]=[N-])cn1)C(=O)O.[Li+].[N-]=[N+]=NCc1ccc(C[C@H](N)C(=O)O)nc1.[OH-].

What is the InChIKey of lithium;acetyl acetate;(2S)-2-amino-3-[5-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-2-(chloroamino)-3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl (2S)-3-[5-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;hydroxide?

The InChIKey is NQHJSOMESFVVSP-QCYQGVFSSA-M. The full InChI is InChI=1S/C11H14ClNO2.C11H14N4O2.C11H15NO3.C10H13ClN2O3.C10H12N4O2.C9H11N5O2.C4H6O3.6CH4.Li.H2O/c1-8(11(14)15-2)5-10-4-3-9(6-12)7-13-10;1-8(11(16)17-2)5-10-4-3-9(6-13-10)7-14-15-12;1-8(11(14)15-2)5-10-4-3-9(7-13)6-12-10;1-16-10(15)9(13-11)4-8-3-2-7(6-14)5-12-8;1-7(10(15)16)4-9-3-2-8(5-12-9)6-13-14-11;10-8(9(15)16)3-7-2-1-6(4-12-7)5-13-14-11;1-3(5)7-4(2)6;;;;;;;;/h3-4,7-8H,5-6H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;3-4,6,8,13H,5,7H2,1-2H3;2-3,5,9,13-14H,4,6H2,1H3;2-3,5,7H,4,6H2,1H3,(H,15,16);1-2,4,8H,3,5,10H2,(H,15,16);1-2H3;6*1H4;;1H2/q;;;;;;;;;;;;;+1;/p-1/t3*8-;9-;7-;8-;;;;;;;;;/m000000........./s1.

What are the key properties of lithium;acetyl acetate;(2S)-2-amino-3-[5-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-2-(chloroamino)-3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl (2S)-3-[5-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;hydroxide?

lithium;acetyl acetate;(2S)-2-amino-3-[5-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-2-(chloroamino)-3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl (2S)-3-[5-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;hydroxide has a molecular weight of 1579.62 g/mol, XLogP of 9.48, 28 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;acetyl acetate;(2S)-2-amino-3-[5-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-2-(chloroamino)-3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl (2S)-3-[5-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;hydroxide is sourced from PubChem (CID 159854026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).