2-methoxycarbonylcyclopropane-1-carboxylic acid

C6H8O4 — CID 12510971

IUPAC2-methoxycarbonylcyclopropane-1-carboxylic acid
SMILESCOC(=O)C1CC1C(=O)O
InChIInChI=1S/C6H8O4/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3,(H,7,8)
InChIKeyIRRAJLZEAOBJIV-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.12
Rot. Bonds2

About 2-methoxycarbonylcyclopropane-1-carboxylic acid

2-methoxycarbonylcyclopropane-1-carboxylic acid (PubChem CID 12510971) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-methoxycarbonylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonylcyclopropane-1-carboxylic acid
PubChem CID12510971
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name2-methoxycarbonylcyclopropane-1-carboxylic acid
SMILESCOC(=O)C1CC1C(=O)O
InChIInChI=1S/C6H8O4/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3,(H,7,8)
InChIKeyIRRAJLZEAOBJIV-UHFFFAOYSA-N
XLogP-0.12
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-methoxycarbonylcyclopropane-1-carboxylic acid (CID 12510971) is 2-methoxycarbonylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-methoxycarbonylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-methoxycarbonylcyclopropane-1-carboxylic acid is COC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-methoxycarbonylcyclopropane-1-carboxylic acid?
The InChIKey is IRRAJLZEAOBJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3,(H,7,8).
What are the key properties of 2-methoxycarbonylcyclopropane-1-carboxylic acid?
2-methoxycarbonylcyclopropane-1-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 12510971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).