2-prop-2-enoyloxypropanoic acid

C6H8O4 — CID 15752071

IUPAC2-prop-2-enoyloxypropanoic acid
SMILESC=CC(=O)OC(C)C(=O)O
InChIInChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9/h3-4H,1H2,2H3,(H,8,9)
InChIKeyCUTWSDAQYCQTGD-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.19
Rot. Bonds3

About 2-prop-2-enoyloxypropanoic acid

2-prop-2-enoyloxypropanoic acid (PubChem CID 15752071) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-prop-2-enoyloxypropanoic acid.

Molecular Properties

Compound Name2-prop-2-enoyloxypropanoic acid
PubChem CID15752071
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name2-prop-2-enoyloxypropanoic acid
SMILESC=CC(=O)OC(C)C(=O)O
InChIInChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9/h3-4H,1H2,2H3,(H,8,9)
InChIKeyCUTWSDAQYCQTGD-UHFFFAOYSA-N
XLogP0.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxypropanoic acid?
The IUPAC name of 2-prop-2-enoyloxypropanoic acid (CID 15752071) is 2-prop-2-enoyloxypropanoic acid.
What is the SMILES notation for 2-prop-2-enoyloxypropanoic acid?
The canonical SMILES for 2-prop-2-enoyloxypropanoic acid is C=CC(=O)OC(C)C(=O)O.
What is the InChIKey of 2-prop-2-enoyloxypropanoic acid?
The InChIKey is CUTWSDAQYCQTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9/h3-4H,1H2,2H3,(H,8,9).
What are the key properties of 2-prop-2-enoyloxypropanoic acid?
2-prop-2-enoyloxypropanoic acid has a molecular weight of 144.13 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxypropanoic acid is sourced from PubChem (CID 15752071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).