2-hydroxy-2-(oxan-4-yl)propanoic acid

C8H14O4 — CID 79304716

IUPAC2-hydroxy-2-(oxan-4-yl)propanoic acid
SMILESCC(O)(C(=O)O)C1CCOCC1
InChIInChI=1S/C8H14O4/c1-8(11,7(9)10)6-2-4-12-5-3-6/h6,11H,2-5H2,1H3,(H,9,10)
InChIKeyKZYJRPVUZBEARV-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.25
Rot. Bonds2

About 2-hydroxy-2-(oxan-4-yl)propanoic acid

2-hydroxy-2-(oxan-4-yl)propanoic acid (PubChem CID 79304716) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-hydroxy-2-(oxan-4-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(oxan-4-yl)propanoic acid
PubChem CID79304716
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-hydroxy-2-(oxan-4-yl)propanoic acid
SMILESCC(O)(C(=O)O)C1CCOCC1
InChIInChI=1S/C8H14O4/c1-8(11,7(9)10)6-2-4-12-5-3-6/h6,11H,2-5H2,1H3,(H,9,10)
InChIKeyKZYJRPVUZBEARV-UHFFFAOYSA-N
XLogP0.25
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-2-(oxan-4-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 2-hydroxy-2-(oxan-4-yl)propanoic acid?
The IUPAC name of 2-hydroxy-2-(oxan-4-yl)propanoic acid (CID 79304716) is 2-hydroxy-2-(oxan-4-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-(oxan-4-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-(oxan-4-yl)propanoic acid is CC(O)(C(=O)O)C1CCOCC1.
What is the InChIKey of 2-hydroxy-2-(oxan-4-yl)propanoic acid?
The InChIKey is KZYJRPVUZBEARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-8(11,7(9)10)6-2-4-12-5-3-6/h6,11H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-hydroxy-2-(oxan-4-yl)propanoic acid?
2-hydroxy-2-(oxan-4-yl)propanoic acid has a molecular weight of 174.20 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(oxan-4-yl)propanoic acid is sourced from PubChem (CID 79304716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).