2-arsinoyl-2-methylpropanoic acid

C4H9AsO3 — CID 173079763

IUPAC2-arsinoyl-2-methylpropanoic acid
SMILESCC(C)([AsH2]=O)C(=O)O
InChIInChI=1S/C4H9AsO3/c1-4(2,5-8)3(6)7/h5H2,1-2H3,(H,6,7)
InChIKeyMKCLFJKDMVRNIE-UHFFFAOYSA-N
MW180.03 g/mol
LogP-0.22
Rot. Bonds2

About 2-arsinoyl-2-methylpropanoic acid

2-arsinoyl-2-methylpropanoic acid (PubChem CID 173079763) has the molecular formula C4H9AsO3 and a molecular weight of 180.03 g/mol. Its IUPAC name is 2-arsinoyl-2-methylpropanoic acid.

Molecular Properties

Compound Name2-arsinoyl-2-methylpropanoic acid
PubChem CID173079763
Molecular FormulaC4H9AsO3
Molecular Weight180.03 g/mol
Exact Mass179.98
IUPAC Name2-arsinoyl-2-methylpropanoic acid
SMILESCC(C)([AsH2]=O)C(=O)O
InChIInChI=1S/C4H9AsO3/c1-4(2,5-8)3(6)7/h5H2,1-2H3,(H,6,7)
InChIKeyMKCLFJKDMVRNIE-UHFFFAOYSA-N
XLogP-0.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.03
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropanoic acid
CID 87781698
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
2,3-dibromo-2,3-dimethylbutanoic acid
CID 91080552
magnesium;2,2-dimethylpropanoic acid;hydride
CID 173170298
2,2-dimethylpropanoic acid;rhenium;chloride
CID 25015528
2,2-dimethylpropanedioic acid;hydrochloride
CID 87713726
2-bromo-2-methylpropanoic acid
CID 159388254
2,2-dimethylpropanedioic acid;silver
CID 174269885
2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
CID 173177783
sodium;ethane-1,1,1-tricarboxylic acid;hydride
CID 174341245

Frequently Asked Questions

What is the IUPAC name of 2-arsinoyl-2-methylpropanoic acid?
The IUPAC name of 2-arsinoyl-2-methylpropanoic acid (CID 173079763) is 2-arsinoyl-2-methylpropanoic acid.
What is the SMILES notation for 2-arsinoyl-2-methylpropanoic acid?
The canonical SMILES for 2-arsinoyl-2-methylpropanoic acid is CC(C)([AsH2]=O)C(=O)O.
What is the InChIKey of 2-arsinoyl-2-methylpropanoic acid?
The InChIKey is MKCLFJKDMVRNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9AsO3/c1-4(2,5-8)3(6)7/h5H2,1-2H3,(H,6,7).
What are the key properties of 2-arsinoyl-2-methylpropanoic acid?
2-arsinoyl-2-methylpropanoic acid has a molecular weight of 180.03 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-arsinoyl-2-methylpropanoic acid is sourced from PubChem (CID 173079763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).