(6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid

C8H11AsN2O5 — CID 150637413

IUPAC(6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid
SMILESCC(=O)Nc1ccc(O)c(N)c1[As](=O)(O)O
InChIInChI=1S/C8H11AsN2O5/c1-4(12)11-5-2-3-6(13)8(10)7(5)9(14,15)16/h2-3,13H,10H2,1H3,(H,11,12)(H2,14,15,16)
InChIKeyIZEHWAABKLBYGC-UHFFFAOYSA-N
MW290.11 g/mol
LogP-1.51
Rot. Bonds2

About (6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid

(6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid (PubChem CID 150637413) has the molecular formula C8H11AsN2O5 and a molecular weight of 290.11 g/mol. Its IUPAC name is (6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid.

Molecular Properties

Compound Name(6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid
PubChem CID150637413
Molecular FormulaC8H11AsN2O5
Molecular Weight290.11 g/mol
Exact Mass289.99
IUPAC Name(6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid
SMILESCC(=O)Nc1ccc(O)c(N)c1[As](=O)(O)O
InChIInChI=1S/C8H11AsN2O5/c1-4(12)11-5-2-3-6(13)8(10)7(5)9(14,15)16/h2-3,13H,10H2,1H3,(H,11,12)(H2,14,15,16)
InChIKeyIZEHWAABKLBYGC-UHFFFAOYSA-N
XLogP-1.51
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 5-1.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 174311569
CID 174311569
(3-acetamido-4-hydroxyphenyl)arsonic acid;hydron
CID 174446645
(6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid
CID 151128921
(3-acetamido-4-hydroxyphenyl)arsonic acid;2-aminoacetic acid
CID 174387815
(3-acetamido-4-hydroxyphenyl)arsonic acid;4-methylphenol
CID 174289113
N-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane
CID 143730385
(3-acetamido-2-hydroxyphenyl)arsonic acid
CID 154325288
(3-acetamido-4-hydroxyphenyl)arsonic acid;2-ethoxycarbonylbutanoic acid
CID 174257876
(5-acetamido-4-chloro-2-hydroxyphenyl)arsonic acid
CID 174660014
(3-acetamido-4-hydroxyphenyl)arsonic acid;2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
CID 174432735
(3-acetamido-4-hydroxyphenyl)arsonic acid;1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 174406515
(3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol
CID 174365729

Frequently Asked Questions

What is the IUPAC name of (6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid?
The IUPAC name of (6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid (CID 150637413) is (6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid.
What is the SMILES notation for (6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid?
The canonical SMILES for (6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid is CC(=O)Nc1ccc(O)c(N)c1[As](=O)(O)O.
What is the InChIKey of (6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid?
The InChIKey is IZEHWAABKLBYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11AsN2O5/c1-4(12)11-5-2-3-6(13)8(10)7(5)9(14,15)16/h2-3,13H,10H2,1H3,(H,11,12)(H2,14,15,16).
What are the key properties of (6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid?
(6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid has a molecular weight of 290.11 g/mol, XLogP of -1.51, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid is sourced from PubChem (CID 150637413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).