2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid

C8H14O4 — CID 165438430

IUPAC2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid
SMILESCC1OCC(O)(CC(=O)O)C1C
InChIInChI=1S/C8H14O4/c1-5-6(2)12-4-8(5,11)3-7(9)10/h5-6,11H,3-4H2,1-2H3,(H,9,10)
InChIKeyWNDKZQLMGYUIIE-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.25
Rot. Bonds2

About 2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid

2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid (PubChem CID 165438430) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid
PubChem CID165438430
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid
SMILESCC1OCC(O)(CC(=O)O)C1C
InChIInChI=1S/C8H14O4/c1-5-6(2)12-4-8(5,11)3-7(9)10/h5-6,11H,3-4H2,1-2H3,(H,9,10)
InChIKeyWNDKZQLMGYUIIE-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-(3-hydroxy-4,5-dimethyloxolan-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

Related Compounds

(2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 58502500
2-(2-oxabicyclo[2.2.2]octan-4-yl)acetic acid
CID 146152422
2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid
CID 28952583
2-(2-methyloxiran-2-yl)acetic acid
CID 87261352
2-(4-hydroxy-3,5-dimethylthian-4-yl)acetic acid
CID 83908672
2-(4-methyl-1,3-dioxolan-2-yl)acetic acid
CID 175556854
2-[(1R)-1-amino-2-methylcyclopropyl]acetic acid
CID 171036084
2-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]acetic acid
CID 118523608
butanedioic acid;2-methyloxirane
CID 87390185
2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid
CID 83908396
2-(1,3-dioxan-2-yl)acetic acid
CID 55299929
2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid
CID 83906993

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid?
The IUPAC name of 2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid (CID 165438430) is 2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid is CC1OCC(O)(CC(=O)O)C1C.
What is the InChIKey of 2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid?
The InChIKey is WNDKZQLMGYUIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-5-6(2)12-4-8(5,11)3-7(9)10/h5-6,11H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid?
2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic 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-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid is sourced from PubChem (CID 165438430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).