5-(4-carboxy-3-oxobutanoyl)oxy-3,5-dioxopentanoic acid

C10H10O9 — CID 87350248

IUPAC5-(4-carboxy-3-oxobutanoyl)oxy-3,5-dioxopentanoic acid
SMILESO=C(O)CC(=O)CC(=O)OC(=O)CC(=O)CC(=O)O
InChIInChI=1S/C10H10O9/c11-5(1-7(13)14)3-9(17)19-10(18)4-6(12)2-8(15)16/h1-4H2,(H,13,14)(H,15,16)
InChIKeyDWXBGPNKKCOZQD-UHFFFAOYSA-N
MW274.18 g/mol
LogP-1.08
Rot. Bonds8

About 5-(4-carboxy-3-oxobutanoyl)oxy-3,5-dioxopentanoic acid

5-(4-carboxy-3-oxobutanoyl)oxy-3,5-dioxopentanoic acid (PubChem CID 87350248) has the molecular formula C10H10O9 and a molecular weight of 274.18 g/mol. Its IUPAC name is 5-(4-carboxy-3-oxobutanoyl)oxy-3,5-dioxopentanoic acid.

Molecular Properties

Compound Name5-(4-carboxy-3-oxobutanoyl)oxy-3,5-dioxopentanoic acid
PubChem CID87350248
Molecular FormulaC10H10O9
Molecular Weight274.18 g/mol
Exact Mass274.03
IUPAC Name5-(4-carboxy-3-oxobutanoyl)oxy-3,5-dioxopentanoic acid
SMILESO=C(O)CC(=O)CC(=O)OC(=O)CC(=O)CC(=O)O
InChIInChI=1S/C10H10O9/c11-5(1-7(13)14)3-9(17)19-10(18)4-6(12)2-8(15)16/h1-4H2,(H,13,14)(H,15,16)
InChIKeyDWXBGPNKKCOZQD-UHFFFAOYSA-N
XLogP-1.08
TPSA152.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

hydrazine;3-oxopentanedioic acid
CID 175290399
3,5,7-trioxononanoic acid
CID 71399755
calcium;propanedioic acid;dichloride
CID 172710665
3-(2-carboxyacetyl)peroxy-3-oxopropanoic acid
CID 175368500
3-[3-amino-4-(2-carboxyacetyl)oxy-4-oxobutanoyl]oxy-3-oxopropanoic acid
CID 87196678
3-oxobutanoyl 3-oxobutanoate
CID 18751461
propanedioic acid;tungsten
CID 22081019
CID 87073401
CID 87073401
propanedioic acid;terbium
CID 87785742
3-ethoxy-3-oxopropanoic acid chloride
CID 21107838
[4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate
CID 175046390
ethane;3-methoxy-3-oxopropanoic acid
CID 91567189

Frequently Asked Questions

What is the IUPAC name of 5-(4-carboxy-3-oxobutanoyl)oxy-3,5-dioxopentanoic acid?
The IUPAC name of 5-(4-carboxy-3-oxobutanoyl)oxy-3,5-dioxopentanoic acid (CID 87350248) is 5-(4-carboxy-3-oxobutanoyl)oxy-3,5-dioxopentanoic acid.
What is the SMILES notation for 5-(4-carboxy-3-oxobutanoyl)oxy-3,5-dioxopentanoic acid?
The canonical SMILES for 5-(4-carboxy-3-oxobutanoyl)oxy-3,5-dioxopentanoic acid is O=C(O)CC(=O)CC(=O)OC(=O)CC(=O)CC(=O)O.
What is the InChIKey of 5-(4-carboxy-3-oxobutanoyl)oxy-3,5-dioxopentanoic acid?
The InChIKey is DWXBGPNKKCOZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O9/c11-5(1-7(13)14)3-9(17)19-10(18)4-6(12)2-8(15)16/h1-4H2,(H,13,14)(H,15,16).
What are the key properties of 5-(4-carboxy-3-oxobutanoyl)oxy-3,5-dioxopentanoic acid?
5-(4-carboxy-3-oxobutanoyl)oxy-3,5-dioxopentanoic acid has a molecular weight of 274.18 g/mol, XLogP of -1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carboxy-3-oxobutanoyl)oxy-3,5-dioxopentanoic acid is sourced from PubChem (CID 87350248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).