4-hydroxyoxolane-3-carboxylic acid

C5H8O4 — CID 54443687

IUPAC4-hydroxyoxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1O
InChIInChI=1S/C5H8O4/c6-4-2-9-1-3(4)5(7)8/h3-4,6H,1-2H2,(H,7,8)
InChIKeyWPYFKMJISQFZFP-UHFFFAOYSA-N
MW132.11 g/mol
LogP-0.92
Rot. Bonds1

About 4-hydroxyoxolane-3-carboxylic acid

4-hydroxyoxolane-3-carboxylic acid (PubChem CID 54443687) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is 4-hydroxyoxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxyoxolane-3-carboxylic acid
PubChem CID54443687
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name4-hydroxyoxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1O
InChIInChI=1S/C5H8O4/c6-4-2-9-1-3(4)5(7)8/h3-4,6H,1-2H2,(H,7,8)
InChIKeyWPYFKMJISQFZFP-UHFFFAOYSA-N
XLogP-0.92
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dihydroxybutanoic acid gamma-lactone
CID 95652
3-Hydroxybutyrolactone, (3S)-
CID 7269389
3-Hydroxybutyrolactone, (3R)-
CID 7060520
3,4-Dihydroxy-3-methyloxolan-2-one
CID 11469098
3-(Hydroxymethyl)oxolan-2-one
CID 12664700
(3R,4R)-3,4-Dihydroxy-3-methyloxolan-2-one
CID 11126294
D-Apionolactone
CID 124080856
(3R,4R)-3-hydroxy-4-methyloxolan-2-one
CID 10953469
3-Hydroxy-4-methyloxolan-2-one
CID 13639661
4-Hydroxy-4-(hydroxymethyl)oxolan-2-one
CID 18783249
Methyl 3-hydroxyoxolane-3-carboxylate
CID 63333090
(3R,4R)-4-hydroxy-3-methyloxolan-2-one
CID 10997004

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyoxolane-3-carboxylic acid?
The IUPAC name of 4-hydroxyoxolane-3-carboxylic acid (CID 54443687) is 4-hydroxyoxolane-3-carboxylic acid.
What is the SMILES notation for 4-hydroxyoxolane-3-carboxylic acid?
The canonical SMILES for 4-hydroxyoxolane-3-carboxylic acid is O=C(O)C1COCC1O.
What is the InChIKey of 4-hydroxyoxolane-3-carboxylic acid?
The InChIKey is WPYFKMJISQFZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c6-4-2-9-1-3(4)5(7)8/h3-4,6H,1-2H2,(H,7,8).
What are the key properties of 4-hydroxyoxolane-3-carboxylic acid?
4-hydroxyoxolane-3-carboxylic acid has a molecular weight of 132.11 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyoxolane-3-carboxylic acid is sourced from PubChem (CID 54443687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).