1-methylcyclopropane-1,2-dicarboxylic acid

C6H8O4 — CID 566659

IUPAC1-methylcyclopropane-1,2-dicarboxylic acid
SMILESCC1(C(=O)O)CC1C(=O)O
InChIInChI=1S/C6H8O4/c1-6(5(9)10)2-3(6)4(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyCUXGZYHWQYTLKE-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.18
Rot. Bonds2

About 1-methylcyclopropane-1,2-dicarboxylic acid

1-methylcyclopropane-1,2-dicarboxylic acid (PubChem CID 566659) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 1-methylcyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-methylcyclopropane-1,2-dicarboxylic acid
PubChem CID566659
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name1-methylcyclopropane-1,2-dicarboxylic acid
SMILESCC1(C(=O)O)CC1C(=O)O
InChIInChI=1S/C6H8O4/c1-6(5(9)10)2-3(6)4(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyCUXGZYHWQYTLKE-UHFFFAOYSA-N
XLogP0.18
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclopropane-1,2-dicarboxylic acid?
The IUPAC name of 1-methylcyclopropane-1,2-dicarboxylic acid (CID 566659) is 1-methylcyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-methylcyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for 1-methylcyclopropane-1,2-dicarboxylic acid is CC1(C(=O)O)CC1C(=O)O.
What is the InChIKey of 1-methylcyclopropane-1,2-dicarboxylic acid?
The InChIKey is CUXGZYHWQYTLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-6(5(9)10)2-3(6)4(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 1-methylcyclopropane-1,2-dicarboxylic acid?
1-methylcyclopropane-1,2-dicarboxylic acid has a molecular weight of 144.13 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 566659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).