dipotassium;bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid);bis(methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate);prop-1-ene;dihydroxide

C101H104K2N12O26 — CID 157333296

About dipotassium;bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid);bis(methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate);prop-1-ene;dihydroxide

dipotassium;bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid);bis(methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate);prop-1-ene;dihydroxide (PubChem CID 157333296) has the molecular formula C101H104K2N12O26 and a molecular weight of 1980.20 g/mol. Its IUPAC name is dipotassium;bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid);bis(methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate);prop-1-ene;dihydroxide.

Molecular Properties

• Compound Name: dipotassium;bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid);bis(methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate);prop-1-ene;dihydroxide
• PubChem CID: 157333296
• Molecular Formula: C101H104K2N12O26
• Molecular Weight: 1980.20 g/mol
• Exact Mass: 1978.65
• IUPAC Name: dipotassium;bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid);bis(methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate);prop-1-ene;dihydroxide
• SMILES: C=CC.COC(=O)[C@H](Cc1c[nH]c2ccc(CCCCC(=O)NO)cc12)N1C(=O)c2ccccc2C1=O.COC(=O)[C@H](Cc1c[nH]c2ccc(CCCCC(=O)NO)cc12)N1C(=O)c2ccccc2C1=O.O=C(CCCCc1ccc2[nH]cc(C[C@@H](C(=O)O)N3C(=O)c4ccccc4C3=O)c2c1)NO.O=C(CCCCc1ccc2[nH]cc(C[C@@H](C(=O)O)N3C(=O)c4ccccc4C3=O)c2c1)NO.[K+].[K+].[OH-].[OH-]
• InChI: InChI=1S/2C25H25N3O6.2C24H23N3O6.C3H6.2K.2H2O/c2*1-34-25(32)21(28-23(30)17-7-3-4-8-18(17)24(28)31)13-16-14-26-20-11-10-15(12-19(16)20)6-2-5-9-22(29)27-33;2*28-21(26-33)8-4-1-5-14-9-10-19-18(11-14)15(13-25-19)12-20(24(31)32)27-22(29)16-6-2-3-7-17(16)23(27)30;1-3-2;;;;/h2*3-4,7-8,10-12,14,21,26,33H,2,5-6,9,13H2,1H3,(H,27,29);2*2-3,6-7,9-11,13,20,25,33H,1,4-5,8,12H2,(H,26,28)(H,31,32);3H,1H2,2H3;;;2*1H2/q;;;;;2*+1;;/p-2/t2*21-;2*20-;;;;;/m0000...../s1
• InChIKey: BFNSFHGYNZIUFQ-PMCZVBFHSA-L
• XLogP: 5.74
• TPSA: 597.20 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1980.20
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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;bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid);bis(methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate);prop-1-ene;dihydroxide?

The IUPAC name of dipotassium;bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid);bis(methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate);prop-1-ene;dihydroxide (CID 157333296) is dipotassium;bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid);bis(methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate);prop-1-ene;dihydroxide.

What is the SMILES notation for dipotassium;bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid);bis(methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate);prop-1-ene;dihydroxide?

The canonical SMILES for dipotassium;bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid);bis(methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate);prop-1-ene;dihydroxide is C=CC.COC(=O)[C@H](Cc1c[nH]c2ccc(CCCCC(=O)NO)cc12)N1C(=O)c2ccccc2C1=O.COC(=O)[C@H](Cc1c[nH]c2ccc(CCCCC(=O)NO)cc12)N1C(=O)c2ccccc2C1=O.O=C(CCCCc1ccc2[nH]cc(C[C@@H](C(=O)O)N3C(=O)c4ccccc4C3=O)c2c1)NO.O=C(CCCCc1ccc2[nH]cc(C[C@@H](C(=O)O)N3C(=O)c4ccccc4C3=O)c2c1)NO.[K+].[K+].[OH-].[OH-].

What is the InChIKey of dipotassium;bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid);bis(methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate);prop-1-ene;dihydroxide?

The InChIKey is BFNSFHGYNZIUFQ-PMCZVBFHSA-L. The full InChI is InChI=1S/2C25H25N3O6.2C24H23N3O6.C3H6.2K.2H2O/c2*1-34-25(32)21(28-23(30)17-7-3-4-8-18(17)24(28)31)13-16-14-26-20-11-10-15(12-19(16)20)6-2-5-9-22(29)27-33;2*28-21(26-33)8-4-1-5-14-9-10-19-18(11-14)15(13-25-19)12-20(24(31)32)27-22(29)16-6-2-3-7-17(16)23(27)30;1-3-2;;;;/h2*3-4,7-8,10-12,14,21,26,33H,2,5-6,9,13H2,1H3,(H,27,29);2*2-3,6-7,9-11,13,20,25,33H,1,4-5,8,12H2,(H,26,28)(H,31,32);3H,1H2,2H3;;;2*1H2/q;;;;;2*+1;;/p-2/t2*21-;2*20-;;;;;/m0000...../s1.

What are the key properties of dipotassium;bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid);bis(methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate);prop-1-ene;dihydroxide?

dipotassium;bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid);bis(methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate);prop-1-ene;dihydroxide has a molecular weight of 1980.20 g/mol, XLogP of 5.74, 36 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoic acid);bis(methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-[5-(hydroxyamino)-5-oxopentyl]-1H-indol-3-yl]propanoate);prop-1-ene;dihydroxide is sourced from PubChem (CID 157333296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).