2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid

C7H8O4 — CID 149222852

IUPAC2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid
SMILESO=C(O)C[C@H]1C=CC(=O)OC1
InChIInChI=1S/C7H8O4/c8-6(9)3-5-1-2-7(10)11-4-5/h1-2,5H,3-4H2,(H,8,9)/t5-/m1/s1
InChIKeyXIUAZGIQWLXRLF-RXMQYKEDSA-N
MW156.14 g/mol
LogP0.19
Rot. Bonds2

About 2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid

2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid (PubChem CID 149222852) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid
PubChem CID149222852
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid
SMILESO=C(O)C[C@H]1C=CC(=O)OC1
InChIInChI=1S/C7H8O4/c8-6(9)3-5-1-2-7(10)11-4-5/h1-2,5H,3-4H2,(H,8,9)/t5-/m1/s1
InChIKeyXIUAZGIQWLXRLF-RXMQYKEDSA-N
XLogP0.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid (CID 149222852) is 2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid is O=C(O)C[C@H]1C=CC(=O)OC1.
What is the InChIKey of 2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid?
The InChIKey is XIUAZGIQWLXRLF-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H8O4/c8-6(9)3-5-1-2-7(10)11-4-5/h1-2,5H,3-4H2,(H,8,9)/t5-/m1/s1.
What are the key properties of 2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid?
2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid has a molecular weight of 156.14 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid is sourced from PubChem (CID 149222852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).