2-(oxolan-3-yl)propanoic acid

C7H12O3 — CID 79418350

IUPAC2-(oxolan-3-yl)propanoic acid
SMILESCC(C(=O)O)C1CCOC1
InChIInChI=1S/C7H12O3/c1-5(7(8)9)6-2-3-10-4-6/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyMILXYGVGBFRIEW-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.74
Rot. Bonds2

About 2-(oxolan-3-yl)propanoic acid

2-(oxolan-3-yl)propanoic acid (PubChem CID 79418350) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(oxolan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(oxolan-3-yl)propanoic acid
PubChem CID79418350
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-(oxolan-3-yl)propanoic acid
SMILESCC(C(=O)O)C1CCOC1
InChIInChI=1S/C7H12O3/c1-5(7(8)9)6-2-3-10-4-6/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyMILXYGVGBFRIEW-UHFFFAOYSA-N
XLogP0.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)propanoic acid?
The IUPAC name of 2-(oxolan-3-yl)propanoic acid (CID 79418350) is 2-(oxolan-3-yl)propanoic acid.
What is the SMILES notation for 2-(oxolan-3-yl)propanoic acid?
The canonical SMILES for 2-(oxolan-3-yl)propanoic acid is CC(C(=O)O)C1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)propanoic acid?
The InChIKey is MILXYGVGBFRIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-5(7(8)9)6-2-3-10-4-6/h5-6H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-(oxolan-3-yl)propanoic acid?
2-(oxolan-3-yl)propanoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)propanoic acid is sourced from PubChem (CID 79418350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).