(2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid

C8H12O3 — CID 95364014

IUPAC(2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@]12CCCOC2
InChIInChI=1S/C8H12O3/c9-7(10)6-4-8(6)2-1-3-11-5-8/h6H,1-5H2,(H,9,10)/t6-,8-/m0/s1
InChIKeyFGXIPZDQLVSHRH-XPUUQOCRSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds1

About (2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid

(2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid (PubChem CID 95364014) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid
PubChem CID95364014
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@]12CCCOC2
InChIInChI=1S/C8H12O3/c9-7(10)6-4-8(6)2-1-3-11-5-8/h6H,1-5H2,(H,9,10)/t6-,8-/m0/s1
InChIKeyFGXIPZDQLVSHRH-XPUUQOCRSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-oxaspiro[2.5]octane-2-carboxamide
CID 170549524
(2R)-spiro[2.5]octane-2-carboxylic acid
CID 10419388
(5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid
CID 95255158
5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride
CID 122163372
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175025
6-azaspiro[2.5]octane-2-carboxylic acid
CID 51342230
(2R,3S,5R)-5-methyl-6-oxaspiro[2.5]octane-2-carboxylic acid
CID 124708919
spiro[3.4]octane-8-carboxylic acid
CID 83905140
6-aminospiro[2.5]octane-2-carboxylic acid
CID 84653499
6-oxospiro[2.5]octane-2-carboxylic acid
CID 84653004
(3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid
CID 125041561
ethyl 5-oxaspiro[2.4]heptane-2-carboxylate
CID 130668492

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of (2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid (CID 95364014) is (2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for (2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for (2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid is O=C(O)[C@@H]1C[C@]12CCCOC2.
What is the InChIKey of (2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is FGXIPZDQLVSHRH-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H12O3/c9-7(10)6-4-8(6)2-1-3-11-5-8/h6H,1-5H2,(H,9,10)/t6-,8-/m0/s1.
What are the key properties of (2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid?
(2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 95364014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).