(2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid

C12H18AsNO8 — CID 174902102

IUPAC(2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid
SMILESCC(=O)Nc1ccccc1[As](=O)(O)OO.COCCC(=O)O
InChIInChI=1S/C8H10AsNO5.C4H8O3/c1-6(11)10-8-5-3-2-4-7(8)9(12,13)15-14;1-7-3-2-4(5)6/h2-5,14H,1H3,(H,10,11)(H,12,13);2-3H2,1H3,(H,5,6)
InChIKeyMSGJRZFKIJTEBE-UHFFFAOYSA-N
MW379.20 g/mol
LogP-0.19
Rot. Bonds6

About (2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid

(2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid (PubChem CID 174902102) has the molecular formula C12H18AsNO8 and a molecular weight of 379.20 g/mol. Its IUPAC name is (2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid.

Molecular Properties

Compound Name(2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid
PubChem CID174902102
Molecular FormulaC12H18AsNO8
Molecular Weight379.20 g/mol
Exact Mass379.02
IUPAC Name(2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid
SMILESCC(=O)Nc1ccccc1[As](=O)(O)OO.COCCC(=O)O
InChIInChI=1S/C8H10AsNO5.C4H8O3/c1-6(11)10-8-5-3-2-4-7(8)9(12,13)15-14;1-7-3-2-4(5)6/h2-5,14H,1H3,(H,10,11)(H,12,13);2-3H2,1H3,(H,5,6)
InChIKeyMSGJRZFKIJTEBE-UHFFFAOYSA-N
XLogP-0.19
TPSA142.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid?
The IUPAC name of (2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid (CID 174902102) is (2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid.
What is the SMILES notation for (2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid?
The canonical SMILES for (2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid is CC(=O)Nc1ccccc1[As](=O)(O)OO.COCCC(=O)O.
What is the InChIKey of (2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid?
The InChIKey is MSGJRZFKIJTEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10AsNO5.C4H8O3/c1-6(11)10-8-5-3-2-4-7(8)9(12,13)15-14;1-7-3-2-4(5)6/h2-5,14H,1H3,(H,10,11)(H,12,13);2-3H2,1H3,(H,5,6).
What are the key properties of (2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid?
(2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid has a molecular weight of 379.20 g/mol, XLogP of -0.19, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid is sourced from PubChem (CID 174902102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).