oxiran-2-one;propanoic acid

C5H8O4 — CID 175762754

IUPACoxiran-2-one;propanoic acid
SMILESCCC(=O)O.O=C1CO1
InChIInChI=1S/C3H6O2.C2H2O2/c1-2-3(4)5;3-2-1-4-2/h2H2,1H3,(H,4,5);1H2
InChIKeyMLUSUNPLSZMUSC-UHFFFAOYSA-N
MW132.12 g/mol
LogP0.02
Rot. Bonds1

About oxiran-2-one;propanoic acid

oxiran-2-one;propanoic acid (PubChem CID 175762754) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is oxiran-2-one;propanoic acid.

Molecular Properties

Compound Nameoxiran-2-one;propanoic acid
PubChem CID175762754
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Nameoxiran-2-one;propanoic acid
SMILESCCC(=O)O.O=C1CO1
InChIInChI=1S/C3H6O2.C2H2O2/c1-2-3(4)5;3-2-1-4-2/h2H2,1H3,(H,4,5);1H2
InChIKeyMLUSUNPLSZMUSC-UHFFFAOYSA-N
XLogP0.02
TPSA66.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxiran-2-one;propanoic acid?
The IUPAC name of oxiran-2-one;propanoic acid (CID 175762754) is oxiran-2-one;propanoic acid.
What is the SMILES notation for oxiran-2-one;propanoic acid?
The canonical SMILES for oxiran-2-one;propanoic acid is CCC(=O)O.O=C1CO1.
What is the InChIKey of oxiran-2-one;propanoic acid?
The InChIKey is MLUSUNPLSZMUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C2H2O2/c1-2-3(4)5;3-2-1-4-2/h2H2,1H3,(H,4,5);1H2.
What are the key properties of oxiran-2-one;propanoic acid?
oxiran-2-one;propanoic acid has a molecular weight of 132.12 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-one;propanoic acid is sourced from PubChem (CID 175762754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).