3-(2H-pyran-3-yl)propanoic acid

C8H10O3 — CID 22114020

IUPAC3-(2H-pyran-3-yl)propanoic acid
SMILESO=C(O)CCC1=CC=COC1
InChIInChI=1S/C8H10O3/c9-8(10)4-3-7-2-1-5-11-6-7/h1-2,5H,3-4,6H2,(H,9,10)
InChIKeyXFFLDMPDCPPJHT-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.32
Rot. Bonds3

About 3-(2H-pyran-3-yl)propanoic acid

3-(2H-pyran-3-yl)propanoic acid (PubChem CID 22114020) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-(2H-pyran-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2H-pyran-3-yl)propanoic acid
PubChem CID22114020
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name3-(2H-pyran-3-yl)propanoic acid
SMILESO=C(O)CCC1=CC=COC1
InChIInChI=1S/C8H10O3/c9-8(10)4-3-7-2-1-5-11-6-7/h1-2,5H,3-4,6H2,(H,9,10)
InChIKeyXFFLDMPDCPPJHT-UHFFFAOYSA-N
XLogP1.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2H-pyran-3-yl)propanoic 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 3-(2H-pyran-3-yl)propanoic acid?
The IUPAC name of 3-(2H-pyran-3-yl)propanoic acid (CID 22114020) is 3-(2H-pyran-3-yl)propanoic acid.
What is the SMILES notation for 3-(2H-pyran-3-yl)propanoic acid?
The canonical SMILES for 3-(2H-pyran-3-yl)propanoic acid is O=C(O)CCC1=CC=COC1.
What is the InChIKey of 3-(2H-pyran-3-yl)propanoic acid?
The InChIKey is XFFLDMPDCPPJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-8(10)4-3-7-2-1-5-11-6-7/h1-2,5H,3-4,6H2,(H,9,10).
What are the key properties of 3-(2H-pyran-3-yl)propanoic acid?
3-(2H-pyran-3-yl)propanoic acid has a molecular weight of 154.17 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-pyran-3-yl)propanoic acid is sourced from PubChem (CID 22114020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).