sodium 2-(4-arsonoanilino)-2-oxoethanolate

C8H9AsNNaO5 — CID 23675510

IUPACsodium 2-(4-arsonoanilino)-2-oxoethanolate
SMILESO=C(C[O-])Nc1ccc([As](=O)(O)O)cc1.[Na+]
InChIInChI=1S/C8H9AsNO5.Na/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15;/h1-4H,5H2,(H,10,12)(H2,13,14,15);/q-1;+1
InChIKeyMYVRROALAOLLEV-UHFFFAOYSA-N
MW297.07 g/mol
LogP-5.45
Rot. Bonds3

About sodium 2-(4-arsonoanilino)-2-oxoethanolate

sodium 2-(4-arsonoanilino)-2-oxoethanolate (PubChem CID 23675510) has the molecular formula C8H9AsNNaO5 and a molecular weight of 297.07 g/mol. Its IUPAC name is sodium 2-(4-arsonoanilino)-2-oxoethanolate.

Molecular Properties

Compound Namesodium 2-(4-arsonoanilino)-2-oxoethanolate
PubChem CID23675510
Molecular FormulaC8H9AsNNaO5
Molecular Weight297.07 g/mol
Exact Mass296.96
IUPAC Namesodium 2-(4-arsonoanilino)-2-oxoethanolate
SMILESO=C(C[O-])Nc1ccc([As](=O)(O)O)cc1.[Na+]
InChIInChI=1S/C8H9AsNO5.Na/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15;/h1-4H,5H2,(H,10,12)(H2,13,14,15);/q-1;+1
InChIKeyMYVRROALAOLLEV-UHFFFAOYSA-N
XLogP-5.45
TPSA109.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 5-5.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-arsonatophenyl)-2-hydroxyacetamide
CID 4619461
[4-(nitrosomethylamino)phenyl]arsonic acid
CID 154210771
3-oxo-N-[4-[[4-(3-oxobutanoylamino)phenyl]methyl]phenyl]butanamide
CID 4165564
2-amino-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 43710915
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
sodium 4-[(2-bromoacetyl)amino]benzenesulfonate
CID 20688392
2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 96678961
N'-(4-fluorophenyl)propanediamide
CID 18174009
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate)
CID 6095733
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 86022306

Frequently Asked Questions

What is the IUPAC name of sodium 2-(4-arsonoanilino)-2-oxoethanolate?
The IUPAC name of sodium 2-(4-arsonoanilino)-2-oxoethanolate (CID 23675510) is sodium 2-(4-arsonoanilino)-2-oxoethanolate.
What is the SMILES notation for sodium 2-(4-arsonoanilino)-2-oxoethanolate?
The canonical SMILES for sodium 2-(4-arsonoanilino)-2-oxoethanolate is O=C(C[O-])Nc1ccc([As](=O)(O)O)cc1.[Na+].
What is the InChIKey of sodium 2-(4-arsonoanilino)-2-oxoethanolate?
The InChIKey is MYVRROALAOLLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9AsNO5.Na/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15;/h1-4H,5H2,(H,10,12)(H2,13,14,15);/q-1;+1.
What are the key properties of sodium 2-(4-arsonoanilino)-2-oxoethanolate?
sodium 2-(4-arsonoanilino)-2-oxoethanolate has a molecular weight of 297.07 g/mol, XLogP of -5.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(4-arsonoanilino)-2-oxoethanolate is sourced from PubChem (CID 23675510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).