2-(3-hydroxy-5-oxooxolan-3-yl)acetic acid

C6H8O5 — CID 71468112

IUPAC2-(3-hydroxy-5-oxooxolan-3-yl)acetic acid
SMILESO=C(O)CC1(O)COC(=O)C1
InChIInChI=1S/C6H8O5/c7-4(8)1-6(10)2-5(9)11-3-6/h10H,1-3H2,(H,7,8)
InChIKeyGTKAAWPAABPJRA-UHFFFAOYSA-N
MW160.12 g/mol
LogP-0.86
Rot. Bonds2

About 2-(3-hydroxy-5-oxooxolan-3-yl)acetic acid

2-(3-hydroxy-5-oxooxolan-3-yl)acetic acid (PubChem CID 71468112) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is 2-(3-hydroxy-5-oxooxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-5-oxooxolan-3-yl)acetic acid
PubChem CID71468112
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name2-(3-hydroxy-5-oxooxolan-3-yl)acetic acid
SMILESO=C(O)CC1(O)COC(=O)C1
InChIInChI=1S/C6H8O5/c7-4(8)1-6(10)2-5(9)11-3-6/h10H,1-3H2,(H,7,8)
InChIKeyGTKAAWPAABPJRA-UHFFFAOYSA-N
XLogP-0.86
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-5-oxooxolan-3-yl)acetic acid?
The IUPAC name of 2-(3-hydroxy-5-oxooxolan-3-yl)acetic acid (CID 71468112) is 2-(3-hydroxy-5-oxooxolan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-5-oxooxolan-3-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-5-oxooxolan-3-yl)acetic acid is O=C(O)CC1(O)COC(=O)C1.
What is the InChIKey of 2-(3-hydroxy-5-oxooxolan-3-yl)acetic acid?
The InChIKey is GTKAAWPAABPJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c7-4(8)1-6(10)2-5(9)11-3-6/h10H,1-3H2,(H,7,8).
What are the key properties of 2-(3-hydroxy-5-oxooxolan-3-yl)acetic acid?
2-(3-hydroxy-5-oxooxolan-3-yl)acetic acid has a molecular weight of 160.12 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-5-oxooxolan-3-yl)acetic acid is sourced from PubChem (CID 71468112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).