dipotassium;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoic acid;5-[3-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]-1H-indol-6-yl]pent-4-ynoic acid;hydroxylamine;methane;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoate;dihydroxide

C124H117K2N15O33 — CID 157154952

About dipotassium;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoic acid;5-[3-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]-1H-indol-6-yl]pent-4-ynoic acid;hydroxylamine;methane;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoate;dihydroxide

dipotassium;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoic acid;5-[3-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]-1H-indol-6-yl]pent-4-ynoic acid;hydroxylamine;methane;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoate;dihydroxide (PubChem CID 157154952) has the molecular formula C124H117K2N15O33 and a molecular weight of 2423.57 g/mol. Its IUPAC name is dipotassium;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoic acid;5-[3-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]-1H-indol-6-yl]pent-4-ynoic acid;hydroxylamine;methane;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoate;dihydroxide.

Molecular Properties

• Compound Name: dipotassium;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoic acid;5-[3-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]-1H-indol-6-yl]pent-4-ynoic acid;hydroxylamine;methane;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoate;dihydroxide
• PubChem CID: 157154952
• Molecular Formula: C124H117K2N15O33
• Molecular Weight: 2423.57 g/mol
• Exact Mass: 2421.72
• IUPAC Name: dipotassium;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoic acid;5-[3-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]-1H-indol-6-yl]pent-4-ynoic acid;hydroxylamine;methane;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoate;dihydroxide
• SMILES: C.COC(=O)[C@H](Cc1c[nH]c2cc(C#CCCC(=O)NO)ccc12)N1C(=O)c2ccccc2C1=O.COC(=O)[C@H](Cc1c[nH]c2cc(C#CCCC(=O)O)ccc12)N1C(=O)c2ccccc2C1=O.COC(=O)[C@H](Cc1c[nH]c2cc(CCCCC(=O)NO)ccc12)N1C(=O)c2ccccc2C1=O.NO.O=C(CCC#Cc1ccc2c(C[C@@H](C(=O)O)N3C(=O)c4ccccc4C3=O)c[nH]c2c1)NO.O=C(CCCCc1ccc2c(C[C@@H](C(=O)O)N3C(=O)c4ccccc4C3=O)c[nH]c2c1)NO.[K+].[K+].[OH-].[OH-]
• InChI: InChI=1S/C25H25N3O6.C25H21N3O6.C25H20N2O6.C24H23N3O6.C24H19N3O6.CH4.2K.H3NO.2H2O/c2*1-34-25(32)21(28-23(30)18-7-3-4-8-19(18)24(28)31)13-16-14-26-20-12-15(10-11-17(16)20)6-2-5-9-22(29)27-33;1-33-25(32)21(27-23(30)18-7-3-4-8-19(18)24(27)31)13-16-14-26-20-12-15(10-11-17(16)20)6-2-5-9-22(28)29;2*28-21(26-33)8-4-1-5-14-9-10-16-15(13-25-19(16)11-14)12-20(24(31)32)27-22(29)17-6-2-3-7-18(17)23(27)30;;;;1-2;;/h3-4,7-8,10-12,14,21,26,33H,2,5-6,9,13H2,1H3,(H,27,29);3-4,7-8,10-12,14,21,26,33H,5,9,13H2,1H3,(H,27,29);3-4,7-8,10-12,14,21,26H,5,9,13H2,1H3,(H,28,29);2-3,6-7,9-11,13,20,25,33H,1,4-5,8,12H2,(H,26,28)(H,31,32);2-3,6-7,9-11,13,20,25,33H,4,8,12H2,(H,26,28)(H,31,32);1H4;;;2H,1H2;2*1H2/q;;;;;;2*+1;;;/p-2/t3*21-;2*20-;;;;;;/m00000....../s1
• InChIKey: ALRVBFSEKWBPMU-JOZLJGNOSA-L
• XLogP: 6.12
• TPSA: 760.22 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2423.57
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoic acid;5-[3-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]-1H-indol-6-yl]pent-4-ynoic acid;hydroxylamine;methane;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoate;dihydroxide?

The IUPAC name of dipotassium;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoic acid;5-[3-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]-1H-indol-6-yl]pent-4-ynoic acid;hydroxylamine;methane;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoate;dihydroxide (CID 157154952) is dipotassium;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoic acid;5-[3-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]-1H-indol-6-yl]pent-4-ynoic acid;hydroxylamine;methane;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoate;dihydroxide.

What is the SMILES notation for dipotassium;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoic acid;5-[3-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]-1H-indol-6-yl]pent-4-ynoic acid;hydroxylamine;methane;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoate;dihydroxide?

The canonical SMILES for dipotassium;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoic acid;5-[3-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]-1H-indol-6-yl]pent-4-ynoic acid;hydroxylamine;methane;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoate;dihydroxide is C.COC(=O)[C@H](Cc1c[nH]c2cc(C#CCCC(=O)NO)ccc12)N1C(=O)c2ccccc2C1=O.COC(=O)[C@H](Cc1c[nH]c2cc(C#CCCC(=O)O)ccc12)N1C(=O)c2ccccc2C1=O.COC(=O)[C@H](Cc1c[nH]c2cc(CCCCC(=O)NO)ccc12)N1C(=O)c2ccccc2C1=O.NO.O=C(CCC#Cc1ccc2c(C[C@@H](C(=O)O)N3C(=O)c4ccccc4C3=O)c[nH]c2c1)NO.O=C(CCCCc1ccc2c(C[C@@H](C(=O)O)N3C(=O)c4ccccc4C3=O)c[nH]c2c1)NO.[K+].[K+].[OH-].[OH-].

What is the InChIKey of dipotassium;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoic acid;5-[3-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]-1H-indol-6-yl]pent-4-ynoic acid;hydroxylamine;methane;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoate;dihydroxide?

The InChIKey is ALRVBFSEKWBPMU-JOZLJGNOSA-L. The full InChI is InChI=1S/C25H25N3O6.C25H21N3O6.C25H20N2O6.C24H23N3O6.C24H19N3O6.CH4.2K.H3NO.2H2O/c2*1-34-25(32)21(28-23(30)18-7-3-4-8-19(18)24(28)31)13-16-14-26-20-12-15(10-11-17(16)20)6-2-5-9-22(29)27-33;1-33-25(32)21(27-23(30)18-7-3-4-8-19(18)24(27)31)13-16-14-26-20-12-15(10-11-17(16)20)6-2-5-9-22(28)29;2*28-21(26-33)8-4-1-5-14-9-10-16-15(13-25-19(16)11-14)12-20(24(31)32)27-22(29)17-6-2-3-7-18(17)23(27)30;;;;1-2;;/h3-4,7-8,10-12,14,21,26,33H,2,5-6,9,13H2,1H3,(H,27,29);3-4,7-8,10-12,14,21,26,33H,5,9,13H2,1H3,(H,27,29);3-4,7-8,10-12,14,21,26H,5,9,13H2,1H3,(H,28,29);2-3,6-7,9-11,13,20,25,33H,1,4-5,8,12H2,(H,26,28)(H,31,32);2-3,6-7,9-11,13,20,25,33H,4,8,12H2,(H,26,28)(H,31,32);1H4;;;2H,1H2;2*1H2/q;;;;;;2*+1;;;/p-2/t3*21-;2*20-;;;;;;/m00000....../s1.

What are the key properties of dipotassium;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoic acid;5-[3-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]-1H-indol-6-yl]pent-4-ynoic acid;hydroxylamine;methane;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoate;dihydroxide?

dipotassium;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoic acid;5-[3-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]-1H-indol-6-yl]pent-4-ynoic acid;hydroxylamine;methane;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoate;dihydroxide has a molecular weight of 2423.57 g/mol, XLogP of 6.12, 36 rotatable bonds, 18 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoic acid;5-[3-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]-1H-indol-6-yl]pent-4-ynoic acid;hydroxylamine;methane;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[6-[5-(hydroxyamino)-5-oxopent-1-ynyl]-1H-indol-3-yl]propanoate;dihydroxide is sourced from PubChem (CID 157154952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).