2-[methoxy(methyl)arsoryl]acetic acid

C4H9AsO4 — CID 87438459

IUPAC2-[methoxy(methyl)arsoryl]acetic acid
SMILESCO[As](C)(=O)CC(=O)O
InChIInChI=1S/C4H9AsO4/c1-5(8,9-2)3-4(6)7/h3H2,1-2H3,(H,6,7)
InChIKeyVTMXXDAZWWHQSN-UHFFFAOYSA-N
MW196.03 g/mol
LogP0.22
Rot. Bonds3

About 2-[methoxy(methyl)arsoryl]acetic acid

2-[methoxy(methyl)arsoryl]acetic acid (PubChem CID 87438459) has the molecular formula C4H9AsO4 and a molecular weight of 196.03 g/mol. Its IUPAC name is 2-[methoxy(methyl)arsoryl]acetic acid.

Molecular Properties

Compound Name2-[methoxy(methyl)arsoryl]acetic acid
PubChem CID87438459
Molecular FormulaC4H9AsO4
Molecular Weight196.03 g/mol
Exact Mass195.97
IUPAC Name2-[methoxy(methyl)arsoryl]acetic acid
SMILESCO[As](C)(=O)CC(=O)O
InChIInChI=1S/C4H9AsO4/c1-5(8,9-2)3-4(6)7/h3H2,1-2H3,(H,6,7)
InChIKeyVTMXXDAZWWHQSN-UHFFFAOYSA-N
XLogP0.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.03
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyacetic acid;methoxymethane
CID 87581490
bis(2-aminoacetic acid);butanoic acid
CID 174823541
carbonic acid;dimethylarsinic acid
CID 87755255
butanoic acid;copper
CID 57425269
CID 87408506
CID 87408506
butanoic acid;dihydrochloride
CID 173423767
butanoic acid;heptahydrofluoride
CID 172757824
dialuminum;butanoic acid
CID 175897781
butanoic acid;praseodymium
CID 88777452
azane;butanoic acid
CID 175057491
butanoic acid;zirconium
CID 87090666
butanoic acid;mercury
CID 87059277

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(methyl)arsoryl]acetic acid?
The IUPAC name of 2-[methoxy(methyl)arsoryl]acetic acid (CID 87438459) is 2-[methoxy(methyl)arsoryl]acetic acid.
What is the SMILES notation for 2-[methoxy(methyl)arsoryl]acetic acid?
The canonical SMILES for 2-[methoxy(methyl)arsoryl]acetic acid is CO[As](C)(=O)CC(=O)O.
What is the InChIKey of 2-[methoxy(methyl)arsoryl]acetic acid?
The InChIKey is VTMXXDAZWWHQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9AsO4/c1-5(8,9-2)3-4(6)7/h3H2,1-2H3,(H,6,7).
What are the key properties of 2-[methoxy(methyl)arsoryl]acetic acid?
2-[methoxy(methyl)arsoryl]acetic acid has a molecular weight of 196.03 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(methyl)arsoryl]acetic acid is sourced from PubChem (CID 87438459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).