[4-(carbamoylamino)phenyl]arsonic acid

C7H9AsN2O4 — CID 8480

💊View drug profile → carbarsone
IUPAC[4-(carbamoylamino)phenyl]arsonic acid
SMILESNC(=O)Nc1ccc([As](=O)(O)O)cc1
InChIInChI=1S/C7H9AsN2O4/c9-7(11)10-6-3-1-5(2-4-6)8(12,13)14/h1-4H,(H3,9,10,11)(H2,12,13,14)
InChIKeyWWXBHTZSYYGCSG-UHFFFAOYSA-N
MW260.08 g/mol
LogP-1.26
Rot. Bonds2

About [4-(carbamoylamino)phenyl]arsonic acid

[4-(carbamoylamino)phenyl]arsonic acid (PubChem CID 8480) has the molecular formula C7H9AsN2O4 and a molecular weight of 260.08 g/mol. Its IUPAC name is [4-(carbamoylamino)phenyl]arsonic acid.

Molecular Properties

Compound Name[4-(carbamoylamino)phenyl]arsonic acid
PubChem CID8480
Molecular FormulaC7H9AsN2O4
Molecular Weight260.08 g/mol
Exact Mass259.98
IUPAC Name[4-(carbamoylamino)phenyl]arsonic acid
SMILESNC(=O)Nc1ccc([As](=O)(O)O)cc1
InChIInChI=1S/C7H9AsN2O4/c9-7(11)10-6-3-1-5(2-4-6)8(12,13)14/h1-4H,(H3,9,10,11)(H2,12,13,14)
InChIKeyWWXBHTZSYYGCSG-UHFFFAOYSA-N
XLogP-1.26
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Arsine, 4-carbamidophenyloxo-
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Frequently Asked Questions

What is the IUPAC name of [4-(carbamoylamino)phenyl]arsonic acid?
The IUPAC name of [4-(carbamoylamino)phenyl]arsonic acid (CID 8480) is [4-(carbamoylamino)phenyl]arsonic acid.
What is the SMILES notation for [4-(carbamoylamino)phenyl]arsonic acid?
The canonical SMILES for [4-(carbamoylamino)phenyl]arsonic acid is NC(=O)Nc1ccc([As](=O)(O)O)cc1.
What is the InChIKey of [4-(carbamoylamino)phenyl]arsonic acid?
The InChIKey is WWXBHTZSYYGCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9AsN2O4/c9-7(11)10-6-3-1-5(2-4-6)8(12,13)14/h1-4H,(H3,9,10,11)(H2,12,13,14).
What are the key properties of [4-(carbamoylamino)phenyl]arsonic acid?
[4-(carbamoylamino)phenyl]arsonic acid has a molecular weight of 260.08 g/mol, XLogP of -1.26, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(carbamoylamino)phenyl]arsonic acid is sourced from PubChem (CID 8480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).