5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid

C8H12O4 — CID 69029104

IUPAC5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CC1C(O)C2O
InChIInChI=1S/C8H12O4/c9-6-3-1-4(7(6)10)5(2-3)8(11)12/h3-7,9-10H,1-2H2,(H,11,12)
InChIKeyYUYUJJQBKHEILC-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.55
Rot. Bonds1

About 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid

5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 69029104) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID69029104
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CC1C(O)C2O
InChIInChI=1S/C8H12O4/c9-6-3-1-4(7(6)10)5(2-3)8(11)12/h3-7,9-10H,1-2H2,(H,11,12)
InChIKeyYUYUJJQBKHEILC-UHFFFAOYSA-N
XLogP-0.55
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R,5R)-bicyclo[2.2.1]heptane-2,3,5-tricarboxylic acid;(2S,3R,5S)-bicyclo[2.2.1]heptane-2,3,5-tricarboxylic acid
CID 157305496
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3,6,7-tetracarboxylic acid
CID 67173351
(2S)-3-oxatricyclo[3.2.1.02,4]octane-6-carboxylic acid
CID 163984291
2,3-dihydroxycyclobutane-1-carboxylic acid
CID 174933453
(1R,2R,3S,4R,6S,7R,8S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 177458663
9-methoxycarbonyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid
CID 139970844
cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid
CID 95788683
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 87573784
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
oxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate
CID 140997261
tricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid
CID 163457745

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid (CID 69029104) is 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1CC2CC1C(O)C2O.
What is the InChIKey of 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is YUYUJJQBKHEILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c9-6-3-1-4(7(6)10)5(2-3)8(11)12/h3-7,9-10H,1-2H2,(H,11,12).
What are the key properties of 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid?
5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of -0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 69029104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).