2-[(2R)-5-oxo-2H-furan-2-yl]acetic acid

C6H6O4 — CID 12823749

IUPAC2-[(2R)-5-oxo-2H-furan-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1C=CC(=O)O1
InChIInChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/t4-/m0/s1
InChIKeyHPEKPJGPWNSAAV-BYPYZUCNSA-N
MW142.11 g/mol
LogP-0.06
Rot. Bonds2

About 2-[(2R)-5-oxo-2H-furan-2-yl]acetic acid

2-[(2R)-5-oxo-2H-furan-2-yl]acetic acid (PubChem CID 12823749) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is 2-[(2R)-5-oxo-2H-furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-5-oxo-2H-furan-2-yl]acetic acid
PubChem CID12823749
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name2-[(2R)-5-oxo-2H-furan-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1C=CC(=O)O1
InChIInChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/t4-/m0/s1
InChIKeyHPEKPJGPWNSAAV-BYPYZUCNSA-N
XLogP-0.06
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5-oxo-2H-furan-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-5-oxo-2H-furan-2-yl]acetic acid (CID 12823749) is 2-[(2R)-5-oxo-2H-furan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-5-oxo-2H-furan-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-5-oxo-2H-furan-2-yl]acetic acid is O=C(O)C[C@@H]1C=CC(=O)O1.
What is the InChIKey of 2-[(2R)-5-oxo-2H-furan-2-yl]acetic acid?
The InChIKey is HPEKPJGPWNSAAV-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/t4-/m0/s1.
What are the key properties of 2-[(2R)-5-oxo-2H-furan-2-yl]acetic acid?
2-[(2R)-5-oxo-2H-furan-2-yl]acetic acid has a molecular weight of 142.11 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5-oxo-2H-furan-2-yl]acetic acid is sourced from PubChem (CID 12823749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).