2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid

C10H16O3 — CID 23009864

IUPAC2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1(C)C2CCC(C2)C1(O)C(=O)O
InChIInChI=1S/C10H16O3/c1-9(2)6-3-4-7(5-6)10(9,13)8(11)12/h6-7,13H,3-5H2,1-2H3,(H,11,12)
InChIKeyNNQBZYOOMSWGED-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.26
Rot. Bonds1

About 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid

2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 23009864) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID23009864
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1(C)C2CCC(C2)C1(O)C(=O)O
InChIInChI=1S/C10H16O3/c1-9(2)6-3-4-7(5-6)10(9,13)8(11)12/h6-7,13H,3-5H2,1-2H3,(H,11,12)
InChIKeyNNQBZYOOMSWGED-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid (CID 23009864) is 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid is CC1(C)C2CCC(C2)C1(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is NNQBZYOOMSWGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-9(2)6-3-4-7(5-6)10(9,13)8(11)12/h6-7,13H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid?
2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 184.23 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 23009864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).