[cyanomethyl(morpholin-4-ylcarbamoyl)amino]oxy-methylphosphinic acid

C8H15N4O5P — CID 88693786

IUPAC[cyanomethyl(morpholin-4-ylcarbamoyl)amino]oxy-methylphosphinic acid
SMILESCP(=O)(O)ON(CC#N)C(=O)NN1CCOCC1
InChIInChI=1S/C8H15N4O5P/c1-18(14,15)17-12(3-2-9)8(13)10-11-4-6-16-7-5-11/h3-7H2,1H3,(H,10,13)(H,14,15)
InChIKeyWUNXOIGFKJJOFG-UHFFFAOYSA-N
MW278.20 g/mol
LogP-0.48
Rot. Bonds4

About [cyanomethyl(morpholin-4-ylcarbamoyl)amino]oxy-methylphosphinic acid

[cyanomethyl(morpholin-4-ylcarbamoyl)amino]oxy-methylphosphinic acid (PubChem CID 88693786) has the molecular formula C8H15N4O5P and a molecular weight of 278.20 g/mol. Its IUPAC name is [cyanomethyl(morpholin-4-ylcarbamoyl)amino]oxy-methylphosphinic acid.

Molecular Properties

Compound Name[cyanomethyl(morpholin-4-ylcarbamoyl)amino]oxy-methylphosphinic acid
PubChem CID88693786
Molecular FormulaC8H15N4O5P
Molecular Weight278.20 g/mol
Exact Mass278.08
IUPAC Name[cyanomethyl(morpholin-4-ylcarbamoyl)amino]oxy-methylphosphinic acid
SMILESCP(=O)(O)ON(CC#N)C(=O)NN1CCOCC1
InChIInChI=1S/C8H15N4O5P/c1-18(14,15)17-12(3-2-9)8(13)10-11-4-6-16-7-5-11/h3-7H2,1H3,(H,10,13)(H,14,15)
InChIKeyWUNXOIGFKJJOFG-UHFFFAOYSA-N
XLogP-0.48
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [cyanomethyl(morpholin-4-ylcarbamoyl)amino]oxy-methylphosphinic acid?
The IUPAC name of [cyanomethyl(morpholin-4-ylcarbamoyl)amino]oxy-methylphosphinic acid (CID 88693786) is [cyanomethyl(morpholin-4-ylcarbamoyl)amino]oxy-methylphosphinic acid.
What is the SMILES notation for [cyanomethyl(morpholin-4-ylcarbamoyl)amino]oxy-methylphosphinic acid?
The canonical SMILES for [cyanomethyl(morpholin-4-ylcarbamoyl)amino]oxy-methylphosphinic acid is CP(=O)(O)ON(CC#N)C(=O)NN1CCOCC1.
What is the InChIKey of [cyanomethyl(morpholin-4-ylcarbamoyl)amino]oxy-methylphosphinic acid?
The InChIKey is WUNXOIGFKJJOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N4O5P/c1-18(14,15)17-12(3-2-9)8(13)10-11-4-6-16-7-5-11/h3-7H2,1H3,(H,10,13)(H,14,15).
What are the key properties of [cyanomethyl(morpholin-4-ylcarbamoyl)amino]oxy-methylphosphinic acid?
[cyanomethyl(morpholin-4-ylcarbamoyl)amino]oxy-methylphosphinic acid has a molecular weight of 278.20 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [cyanomethyl(morpholin-4-ylcarbamoyl)amino]oxy-methylphosphinic acid is sourced from PubChem (CID 88693786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).