5,6-dihydroxy-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid

C9H14O4 — CID 70151558

IUPAC5,6-dihydroxy-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC12CC(CC1C(=O)O)C(O)C2O
InChIInChI=1S/C9H14O4/c1-9-3-4(6(10)7(9)11)2-5(9)8(12)13/h4-7,10-11H,2-3H2,1H3,(H,12,13)
InChIKeyMYNUCCFGAPPTFX-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.16
Rot. Bonds1

About 5,6-dihydroxy-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid

5,6-dihydroxy-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 70151558) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 5,6-dihydroxy-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name5,6-dihydroxy-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID70151558
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name5,6-dihydroxy-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC12CC(CC1C(=O)O)C(O)C2O
InChIInChI=1S/C9H14O4/c1-9-3-4(6(10)7(9)11)2-5(9)8(12)13/h4-7,10-11H,2-3H2,1H3,(H,12,13)
InChIKeyMYNUCCFGAPPTFX-UHFFFAOYSA-N
XLogP-0.16
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 5,6-dihydroxy-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid (CID 70151558) is 5,6-dihydroxy-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 5,6-dihydroxy-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 5,6-dihydroxy-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid is CC12CC(CC1C(=O)O)C(O)C2O.
What is the InChIKey of 5,6-dihydroxy-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is MYNUCCFGAPPTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-9-3-4(6(10)7(9)11)2-5(9)8(12)13/h4-7,10-11H,2-3H2,1H3,(H,12,13).
What are the key properties of 5,6-dihydroxy-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid?
5,6-dihydroxy-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 70151558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).