2-methoxy-2-(oxolan-3-yl)acetic acid

C7H12O4 — CID 83224415

IUPAC2-methoxy-2-(oxolan-3-yl)acetic acid
SMILESCOC(C(=O)O)C1CCOC1
InChIInChI=1S/C7H12O4/c1-10-6(7(8)9)5-2-3-11-4-5/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyUZKOTNKGAPYGIF-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.12
Rot. Bonds3

About 2-methoxy-2-(oxolan-3-yl)acetic acid

2-methoxy-2-(oxolan-3-yl)acetic acid (PubChem CID 83224415) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-methoxy-2-(oxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-methoxy-2-(oxolan-3-yl)acetic acid
PubChem CID83224415
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2-methoxy-2-(oxolan-3-yl)acetic acid
SMILESCOC(C(=O)O)C1CCOC1
InChIInChI=1S/C7H12O4/c1-10-6(7(8)9)5-2-3-11-4-5/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyUZKOTNKGAPYGIF-UHFFFAOYSA-N
XLogP0.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-2-(oxolan-3-yl)acetic 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-methoxy-2-(oxolan-3-yl)acetic acid?
The IUPAC name of 2-methoxy-2-(oxolan-3-yl)acetic acid (CID 83224415) is 2-methoxy-2-(oxolan-3-yl)acetic acid.
What is the SMILES notation for 2-methoxy-2-(oxolan-3-yl)acetic acid?
The canonical SMILES for 2-methoxy-2-(oxolan-3-yl)acetic acid is COC(C(=O)O)C1CCOC1.
What is the InChIKey of 2-methoxy-2-(oxolan-3-yl)acetic acid?
The InChIKey is UZKOTNKGAPYGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-10-6(7(8)9)5-2-3-11-4-5/h5-6H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-methoxy-2-(oxolan-3-yl)acetic acid?
2-methoxy-2-(oxolan-3-yl)acetic acid has a molecular weight of 160.17 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(oxolan-3-yl)acetic acid is sourced from PubChem (CID 83224415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).