5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid

C10H14O4 — CID 23130233

IUPAC5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SMILESCC1CC2CC1C(C(=O)O)C2C(=O)O
InChIInChI=1S/C10H14O4/c1-4-2-5-3-6(4)8(10(13)14)7(5)9(11)12/h4-8H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyUQMBSZANGCZQFJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.06
Rot. Bonds2

About 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid

5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid (PubChem CID 23130233) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid
PubChem CID23130233
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SMILESCC1CC2CC1C(C(=O)O)C2C(=O)O
InChIInChI=1S/C10H14O4/c1-4-2-5-3-6(4)8(10(13)14)7(5)9(11)12/h4-8H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyUQMBSZANGCZQFJ-UHFFFAOYSA-N
XLogP1.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R,5S)-3,5-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;(2S,3S,5S)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 91447754
(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
(1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 98523903
(1R,2R,3S,4R,5R)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 130754555
(1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid
CID 55300462
(1S,3R,5S,6R)-tricyclo[3.2.1.03,6]octane-2-carboxylic acid
CID 131034566
5-sulfobicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 86218903
2-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1-carboxylic acid
CID 178190225
3-formyl-5-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 23463510
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221
(2S)-2,5-dimethylcyclopentane-1-carboxylic acid
CID 55301029
3,6-dimethylcyclohexane-1,2-dicarboxylic acid
CID 18356822

Frequently Asked Questions

What is the IUPAC name of 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The IUPAC name of 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid (CID 23130233) is 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid.
What is the SMILES notation for 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The canonical SMILES for 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid is CC1CC2CC1C(C(=O)O)C2C(=O)O.
What is the InChIKey of 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The InChIKey is UQMBSZANGCZQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-4-2-5-3-6(4)8(10(13)14)7(5)9(11)12/h4-8H,2-3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid is sourced from PubChem (CID 23130233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).