(2R)-3,4-dihydro-2H-pyran-2-carboxylic acid

C6H8O3 — CID 13165036

IUPAC(2R)-3,4-dihydro-2H-pyran-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC=CO1
InChIInChI=1S/C6H8O3/c7-6(8)5-3-1-2-4-9-5/h2,4-5H,1,3H2,(H,7,8)/t5-/m1/s1
InChIKeyOTLWUWJIIXAOEO-RXMQYKEDSA-N
MW128.13 g/mol
LogP0.76
Rot. Bonds1

About (2R)-3,4-dihydro-2H-pyran-2-carboxylic acid

(2R)-3,4-dihydro-2H-pyran-2-carboxylic acid (PubChem CID 13165036) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (2R)-3,4-dihydro-2H-pyran-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-3,4-dihydro-2H-pyran-2-carboxylic acid
PubChem CID13165036
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(2R)-3,4-dihydro-2H-pyran-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC=CO1
InChIInChI=1S/C6H8O3/c7-6(8)5-3-1-2-4-9-5/h2,4-5H,1,3H2,(H,7,8)/t5-/m1/s1
InChIKeyOTLWUWJIIXAOEO-RXMQYKEDSA-N
XLogP0.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,4-dihydro-2H-pyran-2-carboxylic acid?
The IUPAC name of (2R)-3,4-dihydro-2H-pyran-2-carboxylic acid (CID 13165036) is (2R)-3,4-dihydro-2H-pyran-2-carboxylic acid.
What is the SMILES notation for (2R)-3,4-dihydro-2H-pyran-2-carboxylic acid?
The canonical SMILES for (2R)-3,4-dihydro-2H-pyran-2-carboxylic acid is O=C(O)[C@H]1CCC=CO1.
What is the InChIKey of (2R)-3,4-dihydro-2H-pyran-2-carboxylic acid?
The InChIKey is OTLWUWJIIXAOEO-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8O3/c7-6(8)5-3-1-2-4-9-5/h2,4-5H,1,3H2,(H,7,8)/t5-/m1/s1.
What are the key properties of (2R)-3,4-dihydro-2H-pyran-2-carboxylic acid?
(2R)-3,4-dihydro-2H-pyran-2-carboxylic acid has a molecular weight of 128.13 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,4-dihydro-2H-pyran-2-carboxylic acid is sourced from PubChem (CID 13165036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).