(3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid

C5H6O5 — CID 45084685

IUPAC(3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid
SMILESO=C1C[C@](O)(C(=O)O)CO1
InChIInChI=1S/C5H6O5/c6-3-1-5(9,2-10-3)4(7)8/h9H,1-2H2,(H,7,8)/t5-/m1/s1
InChIKeyVCYINFNRMDFDMP-RXMQYKEDSA-N
MW146.10 g/mol
LogP-1.25
Rot. Bonds1

About (3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid

(3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid (PubChem CID 45084685) has the molecular formula C5H6O5 and a molecular weight of 146.10 g/mol. Its IUPAC name is (3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid
PubChem CID45084685
Molecular FormulaC5H6O5
Molecular Weight146.10 g/mol
Exact Mass146.02
IUPAC Name(3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid
SMILESO=C1C[C@](O)(C(=O)O)CO1
InChIInChI=1S/C5H6O5/c6-3-1-5(9,2-10-3)4(7)8/h9H,1-2H2,(H,7,8)/t5-/m1/s1
InChIKeyVCYINFNRMDFDMP-RXMQYKEDSA-N
XLogP-1.25
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxyoxetane-3-carboxylic acid
CID 84647752
4,4-diaminooxolan-2-one
CID 123435745
1-hydroxy-3-oxocyclohexane-1-carboxylic acid
CID 85203947
5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid
CID 122552769
9-hydroxy-7,11-dioxo-2,5-dipentyl-1,6-dioxacycloundecane-9-carboxylic acid
CID 175101146
2-(6-hydroxy-5,8-dioxo-1,4-dioxocan-6-yl)acetic acid
CID 118194313
1,9-dihydroxy-4,6,12,14,18,20-hexaoxabicyclo[7.7.5]henicosane-3,7,11,15,17,21-hexone
CID 172689316
(3R)-1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid
CID 167095046
(4S)-4-(difluoromethyl)-4-hydroxyoxan-2-one
CID 39871630
[3-(fluoromethyl)-5-oxooxolan-3-yl] acetate
CID 69018685
6-hydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-1-carbonitrile
CID 140713591
4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one
CID 118950288

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid?
The IUPAC name of (3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid (CID 45084685) is (3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid.
What is the SMILES notation for (3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid?
The canonical SMILES for (3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid is O=C1C[C@](O)(C(=O)O)CO1.
What is the InChIKey of (3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid?
The InChIKey is VCYINFNRMDFDMP-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H6O5/c6-3-1-5(9,2-10-3)4(7)8/h9H,1-2H2,(H,7,8)/t5-/m1/s1.
What are the key properties of (3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid?
(3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid has a molecular weight of 146.10 g/mol, XLogP of -1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid is sourced from PubChem (CID 45084685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).