2-methylperoxypropanoic acid

C4H8O4 — CID 151920792

IUPAC2-methylperoxypropanoic acid
SMILESCOOC(C)C(=O)O
InChIInChI=1S/C4H8O4/c1-3(4(5)6)8-7-2/h3H,1-2H3,(H,5,6)
InChIKeySWSLZOGIGIOJGN-UHFFFAOYSA-N
MW120.10 g/mol
LogP0.04
Rot. Bonds3

About 2-methylperoxypropanoic acid

2-methylperoxypropanoic acid (PubChem CID 151920792) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is 2-methylperoxypropanoic acid.

Molecular Properties

Compound Name2-methylperoxypropanoic acid
PubChem CID151920792
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name2-methylperoxypropanoic acid
SMILESCOOC(C)C(=O)O
InChIInChI=1S/C4H8O4/c1-3(4(5)6)8-7-2/h3H,1-2H3,(H,5,6)
InChIKeySWSLZOGIGIOJGN-UHFFFAOYSA-N
XLogP0.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxypropanoic acid;zirconium
CID 174567743
2-methoxypropanoic acid;titanium
CID 175177225
2-ethoxypropanoic acid;methane
CID 160636954
2-methylpropanoic acid;ruthenium
CID 88674751
ethyl 2-methoxypropanoate;2-methoxypropanoic acid
CID 161483069
(2R)-2-(methoxymethoxy)propanoic acid
CID 10844423
(2S)-2-acetyloxypropanoic acid
CID 6326324
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
2-dimethoxyphosphoryloxypropanoic acid
CID 88549351
2-[2-[2-(2-methoxypropanoyloxy)propanoyloxy]propanoyloxy]propanoic acid
CID 89492748
CID 87097403
CID 87097403
1,1,2-tris(methylperoxy)propyl hydrogen carbonate
CID 155408838

Frequently Asked Questions

What is the IUPAC name of 2-methylperoxypropanoic acid?
The IUPAC name of 2-methylperoxypropanoic acid (CID 151920792) is 2-methylperoxypropanoic acid.
What is the SMILES notation for 2-methylperoxypropanoic acid?
The canonical SMILES for 2-methylperoxypropanoic acid is COOC(C)C(=O)O.
What is the InChIKey of 2-methylperoxypropanoic acid?
The InChIKey is SWSLZOGIGIOJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4/c1-3(4(5)6)8-7-2/h3H,1-2H3,(H,5,6).
What are the key properties of 2-methylperoxypropanoic acid?
2-methylperoxypropanoic acid has a molecular weight of 120.10 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylperoxypropanoic acid is sourced from PubChem (CID 151920792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).