2,4-dioxo-1-(pentylideneamino)oxy-1,3-diazinane-5-carboxylic acid

C10H15N3O5 — CID 150504718

IUPAC2,4-dioxo-1-(pentylideneamino)oxy-1,3-diazinane-5-carboxylic acid
SMILESCCCCC=NON1CC(C(=O)O)C(=O)NC1=O
InChIInChI=1S/C10H15N3O5/c1-2-3-4-5-11-18-13-6-7(9(15)16)8(14)12-10(13)17/h5,7H,2-4,6H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyHYOGMSTXTSYKHL-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.35
Rot. Bonds6

About 2,4-dioxo-1-(pentylideneamino)oxy-1,3-diazinane-5-carboxylic acid

2,4-dioxo-1-(pentylideneamino)oxy-1,3-diazinane-5-carboxylic acid (PubChem CID 150504718) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2,4-dioxo-1-(pentylideneamino)oxy-1,3-diazinane-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-1-(pentylideneamino)oxy-1,3-diazinane-5-carboxylic acid
PubChem CID150504718
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2,4-dioxo-1-(pentylideneamino)oxy-1,3-diazinane-5-carboxylic acid
SMILESCCCCC=NON1CC(C(=O)O)C(=O)NC1=O
InChIInChI=1S/C10H15N3O5/c1-2-3-4-5-11-18-13-6-7(9(15)16)8(14)12-10(13)17/h5,7H,2-4,6H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyHYOGMSTXTSYKHL-UHFFFAOYSA-N
XLogP0.35
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 2,4-dioxo-1-(pentylideneamino)oxy-1,3-diazinane-5-carboxylic acid?
The IUPAC name of 2,4-dioxo-1-(pentylideneamino)oxy-1,3-diazinane-5-carboxylic acid (CID 150504718) is 2,4-dioxo-1-(pentylideneamino)oxy-1,3-diazinane-5-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-1-(pentylideneamino)oxy-1,3-diazinane-5-carboxylic acid?
The canonical SMILES for 2,4-dioxo-1-(pentylideneamino)oxy-1,3-diazinane-5-carboxylic acid is CCCCC=NON1CC(C(=O)O)C(=O)NC1=O.
What is the InChIKey of 2,4-dioxo-1-(pentylideneamino)oxy-1,3-diazinane-5-carboxylic acid?
The InChIKey is HYOGMSTXTSYKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-2-3-4-5-11-18-13-6-7(9(15)16)8(14)12-10(13)17/h5,7H,2-4,6H2,1H3,(H,15,16)(H,12,14,17).
What are the key properties of 2,4-dioxo-1-(pentylideneamino)oxy-1,3-diazinane-5-carboxylic acid?
2,4-dioxo-1-(pentylideneamino)oxy-1,3-diazinane-5-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-(pentylideneamino)oxy-1,3-diazinane-5-carboxylic acid is sourced from PubChem (CID 150504718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).