2-[(3S)-2-oxooxolan-3-yl]acetic acid

C6H8O4 — CID 92978281

IUPAC2-[(3S)-2-oxooxolan-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCOC1=O
InChIInChI=1S/C6H8O4/c7-5(8)3-4-1-2-10-6(4)9/h4H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyOQAOJHDQOKLLKC-BYPYZUCNSA-N
MW144.13 g/mol
LogP0.02
Rot. Bonds2

About 2-[(3S)-2-oxooxolan-3-yl]acetic acid

2-[(3S)-2-oxooxolan-3-yl]acetic acid (PubChem CID 92978281) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-[(3S)-2-oxooxolan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-2-oxooxolan-3-yl]acetic acid
PubChem CID92978281
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name2-[(3S)-2-oxooxolan-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCOC1=O
InChIInChI=1S/C6H8O4/c7-5(8)3-4-1-2-10-6(4)9/h4H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyOQAOJHDQOKLLKC-BYPYZUCNSA-N
XLogP0.02
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Furanpropanoic acid, tetrahydro-2-oxo-
CID 120842
3-(Ethoxycarbonyl)pentanedioic acid
CID 122714131
Tricarballylic anhydride
CID 239163
2-(2-Oxooxolan-3-yl)acetic acid
CID 14084412
2-(Oxolan-3-yl)propanoic acid
CID 79418350
2-(Ethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 317445
(1S,2S)-2-(Ethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 21729434
(1R,2R)-2-(ethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 11535603
2-(Oxolan-3-yl)acetic acid
CID 4244905
Exo-3-oxabicyclo(3.1.0)hexane-6-carboxylic acid
CID 12204423
2-((3R)-oxolan-3-yl)acetic acid
CID 14962792
(S)-2-(Tetrahydrofuran-3-YL)acetic acid
CID 14962793

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2-oxooxolan-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-2-oxooxolan-3-yl]acetic acid (CID 92978281) is 2-[(3S)-2-oxooxolan-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-2-oxooxolan-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-2-oxooxolan-3-yl]acetic acid is O=C(O)C[C@@H]1CCOC1=O.
What is the InChIKey of 2-[(3S)-2-oxooxolan-3-yl]acetic acid?
The InChIKey is OQAOJHDQOKLLKC-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8O4/c7-5(8)3-4-1-2-10-6(4)9/h4H,1-3H2,(H,7,8)/t4-/m0/s1.
What are the key properties of 2-[(3S)-2-oxooxolan-3-yl]acetic acid?
2-[(3S)-2-oxooxolan-3-yl]acetic acid has a molecular weight of 144.13 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2-oxooxolan-3-yl]acetic acid is sourced from PubChem (CID 92978281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).