(1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid

C6H8O3 — CID 68652773

IUPAC(1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(O)C1OC[C@H]2C[C@@H]12
InChIInChI=1S/C6H8O3/c7-6(8)5-4-1-3(4)2-9-5/h3-5H,1-2H2,(H,7,8)/t3-,4-,5?/m1/s1
InChIKeyOYUOWEBAHMVBKK-ZZKAVYKESA-N
MW128.13 g/mol
LogP0.11
Rot. Bonds1

About (1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid

(1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid (PubChem CID 68652773) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid
PubChem CID68652773
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(O)C1OC[C@H]2C[C@@H]12
InChIInChI=1S/C6H8O3/c7-6(8)5-4-1-3(4)2-9-5/h3-5H,1-2H2,(H,7,8)/t3-,4-,5?/m1/s1
InChIKeyOYUOWEBAHMVBKK-ZZKAVYKESA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid?
The IUPAC name of (1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid (CID 68652773) is (1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid.
What is the SMILES notation for (1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid?
The canonical SMILES for (1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid is O=C(O)C1OC[C@H]2C[C@@H]12.
What is the InChIKey of (1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid?
The InChIKey is OYUOWEBAHMVBKK-ZZKAVYKESA-N. The full InChI is InChI=1S/C6H8O3/c7-6(8)5-4-1-3(4)2-9-5/h3-5H,1-2H2,(H,7,8)/t3-,4-,5?/m1/s1.
What are the key properties of (1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid?
(1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid has a molecular weight of 128.13 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid is sourced from PubChem (CID 68652773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).