1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid

C7H10O4 — CID 59620516

IUPAC1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid
SMILESCOC(=O)CC1(C(=O)O)CC1
InChIInChI=1S/C7H10O4/c1-11-5(8)4-7(2-3-7)6(9)10/h2-4H2,1H3,(H,9,10)
InChIKeySJKISQXOKNLZKS-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.41
Rot. Bonds3

About 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid

1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid (PubChem CID 59620516) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid
PubChem CID59620516
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid
SMILESCOC(=O)CC1(C(=O)O)CC1
InChIInChI=1S/C7H10O4/c1-11-5(8)4-7(2-3-7)6(9)10/h2-4H2,1H3,(H,9,10)
InChIKeySJKISQXOKNLZKS-UHFFFAOYSA-N
XLogP0.41
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid (CID 59620516) is 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid is COC(=O)CC1(C(=O)O)CC1.
What is the InChIKey of 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid?
The InChIKey is SJKISQXOKNLZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-11-5(8)4-7(2-3-7)6(9)10/h2-4H2,1H3,(H,9,10).
What are the key properties of 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid?
1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid has a molecular weight of 158.15 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 59620516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).