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

C8H14O4 — CID 124510328

IUPAC(2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid
SMILESC[C@](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)/t8-/m1/s1
InChIKeyKZYJRPVUZBEARV-MRVPVSSYSA-N
MW174.20 g/mol
LogP0.25
Rot. Bonds2

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

(2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid (PubChem CID 124510328) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid
PubChem CID124510328
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid
SMILESC[C@](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)/t8-/m1/s1
InChIKeyKZYJRPVUZBEARV-MRVPVSSYSA-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 (2R)-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 (2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid?
The IUPAC name of (2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid (CID 124510328) is (2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid?
The canonical SMILES for (2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid is C[C@](O)(C(=O)O)C1CCOCC1.
What is the InChIKey of (2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid?
The InChIKey is KZYJRPVUZBEARV-MRVPVSSYSA-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)/t8-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid?
(2R)-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 (2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid is sourced from PubChem (CID 124510328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).