2-(oxolan-3-yl)butanoic acid

C8H14O3 — CID 79426077

IUPAC2-(oxolan-3-yl)butanoic acid
SMILESCCC(C(=O)O)C1CCOC1
InChIInChI=1S/C8H14O3/c1-2-7(8(9)10)6-3-4-11-5-6/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyXVRKPIKYUDXWSN-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.13
Rot. Bonds3

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

2-(oxolan-3-yl)butanoic acid (PubChem CID 79426077) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(oxolan-3-yl)butanoic acid.

Molecular Properties

Compound Name2-(oxolan-3-yl)butanoic acid
PubChem CID79426077
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(oxolan-3-yl)butanoic acid
SMILESCCC(C(=O)O)C1CCOC1
InChIInChI=1S/C8H14O3/c1-2-7(8(9)10)6-3-4-11-5-6/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyXVRKPIKYUDXWSN-UHFFFAOYSA-N
XLogP1.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(oxolan-3-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)butanoic acid?
The IUPAC name of 2-(oxolan-3-yl)butanoic acid (CID 79426077) is 2-(oxolan-3-yl)butanoic acid.
What is the SMILES notation for 2-(oxolan-3-yl)butanoic acid?
The canonical SMILES for 2-(oxolan-3-yl)butanoic acid is CCC(C(=O)O)C1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)butanoic acid?
The InChIKey is XVRKPIKYUDXWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-7(8(9)10)6-3-4-11-5-6/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-(oxolan-3-yl)butanoic acid?
2-(oxolan-3-yl)butanoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)butanoic acid is sourced from PubChem (CID 79426077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).