5-(methoxyamino)-4,5-dioxopentanoic acid

C6H9NO5 — CID 141201696

IUPAC5-(methoxyamino)-4,5-dioxopentanoic acid
SMILESCONC(=O)C(=O)CCC(=O)O
InChIInChI=1S/C6H9NO5/c1-12-7-6(11)4(8)2-3-5(9)10/h2-3H2,1H3,(H,7,11)(H,9,10)
InChIKeyFYPDOYATDQJQMZ-UHFFFAOYSA-N
MW175.14 g/mol
LogP-0.90
Rot. Bonds5

About 5-(methoxyamino)-4,5-dioxopentanoic acid

5-(methoxyamino)-4,5-dioxopentanoic acid (PubChem CID 141201696) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is 5-(methoxyamino)-4,5-dioxopentanoic acid.

Molecular Properties

Compound Name5-(methoxyamino)-4,5-dioxopentanoic acid
PubChem CID141201696
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name5-(methoxyamino)-4,5-dioxopentanoic acid
SMILESCONC(=O)C(=O)CCC(=O)O
InChIInChI=1S/C6H9NO5/c1-12-7-6(11)4(8)2-3-5(9)10/h2-3H2,1H3,(H,7,11)(H,9,10)
InChIKeyFYPDOYATDQJQMZ-UHFFFAOYSA-N
XLogP-0.90
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxyamino)-4,5-dioxopentanoic acid?
The IUPAC name of 5-(methoxyamino)-4,5-dioxopentanoic acid (CID 141201696) is 5-(methoxyamino)-4,5-dioxopentanoic acid.
What is the SMILES notation for 5-(methoxyamino)-4,5-dioxopentanoic acid?
The canonical SMILES for 5-(methoxyamino)-4,5-dioxopentanoic acid is CONC(=O)C(=O)CCC(=O)O.
What is the InChIKey of 5-(methoxyamino)-4,5-dioxopentanoic acid?
The InChIKey is FYPDOYATDQJQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO5/c1-12-7-6(11)4(8)2-3-5(9)10/h2-3H2,1H3,(H,7,11)(H,9,10).
What are the key properties of 5-(methoxyamino)-4,5-dioxopentanoic acid?
5-(methoxyamino)-4,5-dioxopentanoic acid has a molecular weight of 175.14 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxyamino)-4,5-dioxopentanoic acid is sourced from PubChem (CID 141201696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).