1-(2-methoxyethyl)cyclopropane-1-carboxylic acid

C7H12O3 — CID 66023970

IUPAC1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
SMILESCOCCC1(C(=O)O)CC1
InChIInChI=1S/C7H12O3/c1-10-5-4-7(2-3-7)6(8)9/h2-5H2,1H3,(H,8,9)
InChIKeyIJPWKHUTMBLTJD-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.89
Rot. Bonds4

About 1-(2-methoxyethyl)cyclopropane-1-carboxylic acid

1-(2-methoxyethyl)cyclopropane-1-carboxylic acid (PubChem CID 66023970) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-(2-methoxyethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
PubChem CID66023970
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
SMILESCOCCC1(C(=O)O)CC1
InChIInChI=1S/C7H12O3/c1-10-5-4-7(2-3-7)6(8)9/h2-5H2,1H3,(H,8,9)
InChIKeyIJPWKHUTMBLTJD-UHFFFAOYSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride
CID 67624891
1-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxylic acid
CID 103410994
1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
CID 103181465
3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid
CID 65409459
1-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103410978
2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid
CID 119346158
3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid
CID 120515250
(2R)-2-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid
CID 120526982
1-(2-ethoxyethyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 65390385
1-(2-cyclopropyloxyethyl)cyclopropane-1-carboxylic acid
CID 84765759
4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid
CID 103184874
1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid
CID 155771087

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)cyclopropane-1-carboxylic acid (CID 66023970) is 1-(2-methoxyethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)cyclopropane-1-carboxylic acid is COCCC1(C(=O)O)CC1.
What is the InChIKey of 1-(2-methoxyethyl)cyclopropane-1-carboxylic acid?
The InChIKey is IJPWKHUTMBLTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-10-5-4-7(2-3-7)6(8)9/h2-5H2,1H3,(H,8,9).
What are the key properties of 1-(2-methoxyethyl)cyclopropane-1-carboxylic acid?
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66023970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).