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

C10H14O4 — CID 19806430

IUPAC1-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SMILESCC12CCC(C1)C(C(=O)O)C2C(=O)O
InChIInChI=1S/C10H14O4/c1-10-3-2-5(4-10)6(8(11)12)7(10)9(13)14/h5-7H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyBFPKYGRZERDWLA-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.21
Rot. Bonds2

About 1-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid

1-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid (PubChem CID 19806430) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name1-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid
PubChem CID19806430
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name1-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SMILESCC12CCC(C1)C(C(=O)O)C2C(=O)O
InChIInChI=1S/C10H14O4/c1-10-3-2-5(4-10)6(8(11)12)7(10)9(13)14/h5-7H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyBFPKYGRZERDWLA-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The IUPAC name of 1-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid (CID 19806430) is 1-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid.
What is the SMILES notation for 1-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The canonical SMILES for 1-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid is CC12CCC(C1)C(C(=O)O)C2C(=O)O.
What is the InChIKey of 1-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The InChIKey is BFPKYGRZERDWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-10-3-2-5(4-10)6(8(11)12)7(10)9(13)14/h5-7H,2-4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 1-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
1-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid is sourced from PubChem (CID 19806430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).