tetrapotassium;bis(4-(2,5-dioxopyrrol-1-yl)butanoic acid);hydride

C16H22K4N2O8 — CID 173213399

IUPACtetrapotassium;bis(4-(2,5-dioxopyrrol-1-yl)butanoic acid);hydride
SMILESO=C(O)CCCN1C(=O)C=CC1=O.O=C(O)CCCN1C(=O)C=CC1=O.[H-].[H-].[H-].[H-].[K+].[K+].[K+].[K+]
InChIInChI=1S/2C8H9NO4.4K.4H/c2*10-6-3-4-7(11)9(6)5-1-2-8(12)13;;;;;;;;/h2*3-4H,1-2,5H2,(H,12,13);;;;;;;;/q;;4*+1;4*-1
InChIKeyMZKGGFHSDHQEBQ-UHFFFAOYSA-N
MW526.75 g/mol
LogP-11.98
Rot. Bonds8

About tetrapotassium;bis(4-(2,5-dioxopyrrol-1-yl)butanoic acid);hydride

tetrapotassium;bis(4-(2,5-dioxopyrrol-1-yl)butanoic acid);hydride (PubChem CID 173213399) has the molecular formula C16H22K4N2O8 and a molecular weight of 526.75 g/mol. Its IUPAC name is tetrapotassium;bis(4-(2,5-dioxopyrrol-1-yl)butanoic acid);hydride.

Molecular Properties

Compound Nametetrapotassium;bis(4-(2,5-dioxopyrrol-1-yl)butanoic acid);hydride
PubChem CID173213399
Molecular FormulaC16H22K4N2O8
Molecular Weight526.75 g/mol
Exact Mass525.99
IUPAC Nametetrapotassium;bis(4-(2,5-dioxopyrrol-1-yl)butanoic acid);hydride
SMILESO=C(O)CCCN1C(=O)C=CC1=O.O=C(O)CCCN1C(=O)C=CC1=O.[H-].[H-].[H-].[H-].[K+].[K+].[K+].[K+]
InChIInChI=1S/2C8H9NO4.4K.4H/c2*10-6-3-4-7(11)9(6)5-1-2-8(12)13;;;;;;;;/h2*3-4H,1-2,5H2,(H,12,13);;;;;;;;/q;;4*+1;4*-1
InChIKeyMZKGGFHSDHQEBQ-UHFFFAOYSA-N
XLogP-11.98
TPSA149.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.75
LogP ≤ 5-11.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-Maleimidobutyric Acid
CID 3404904
4-[Bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 77106255
4-(2,5-Dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 87396636
4-[[3-Carboxypropanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-4-oxobutanoic acid
CID 118491581
4-(2,5-Dioxopyrrol-1-yl)butanoic acid;hydrochloride
CID 121482736
4-(2,5-Dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid
CID 157083856
CID 157679945
CID 157679945
Methanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione
CID 158709279
4-(2,5-Dioxopyrrol-1-yl)butanoic acid;(sulfanylamino) 4-(2,5-dioxopyrrol-1-yl)butanoate;bis(sulfur trioxide)
CID 159500977
Bis(4-(3-methyl-2,5-dioxopyrrol-1-yl)butanoic acid);ZINC
CID 162212928
4-[4-(2,5-Dioxopyrrol-1-yl)butyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 167360810
4-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 169683107

Frequently Asked Questions

What is the IUPAC name of tetrapotassium;bis(4-(2,5-dioxopyrrol-1-yl)butanoic acid);hydride?
The IUPAC name of tetrapotassium;bis(4-(2,5-dioxopyrrol-1-yl)butanoic acid);hydride (CID 173213399) is tetrapotassium;bis(4-(2,5-dioxopyrrol-1-yl)butanoic acid);hydride.
What is the SMILES notation for tetrapotassium;bis(4-(2,5-dioxopyrrol-1-yl)butanoic acid);hydride?
The canonical SMILES for tetrapotassium;bis(4-(2,5-dioxopyrrol-1-yl)butanoic acid);hydride is O=C(O)CCCN1C(=O)C=CC1=O.O=C(O)CCCN1C(=O)C=CC1=O.[H-].[H-].[H-].[H-].[K+].[K+].[K+].[K+].
What is the InChIKey of tetrapotassium;bis(4-(2,5-dioxopyrrol-1-yl)butanoic acid);hydride?
The InChIKey is MZKGGFHSDHQEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9NO4.4K.4H/c2*10-6-3-4-7(11)9(6)5-1-2-8(12)13;;;;;;;;/h2*3-4H,1-2,5H2,(H,12,13);;;;;;;;/q;;4*+1;4*-1.
What are the key properties of tetrapotassium;bis(4-(2,5-dioxopyrrol-1-yl)butanoic acid);hydride?
tetrapotassium;bis(4-(2,5-dioxopyrrol-1-yl)butanoic acid);hydride has a molecular weight of 526.75 g/mol, XLogP of -11.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapotassium;bis(4-(2,5-dioxopyrrol-1-yl)butanoic acid);hydride is sourced from PubChem (CID 173213399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).