3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid

C11H20O3 — CID 65409459

IUPAC3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid
SMILESCCC1CCC(CCOC)(C(=O)O)C1
InChIInChI=1S/C11H20O3/c1-3-9-4-5-11(8-9,10(12)13)6-7-14-2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyVSQXGQYIDKVQKN-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.30
Rot. Bonds5

About 3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid

3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid (PubChem CID 65409459) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid
PubChem CID65409459
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid
SMILESCCC1CCC(CCOC)(C(=O)O)C1
InChIInChI=1S/C11H20O3/c1-3-9-4-5-11(8-9,10(12)13)6-7-14-2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyVSQXGQYIDKVQKN-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid
CID 103184874
3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid
CID 65408887
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid
CID 65395156
3-ethyl-1-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxylic acid
CID 106459363
4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride
CID 67624891
3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
CID 65409462
1-(3-butoxy-2-hydroxypropyl)-3-ethylcyclopentane-1-carboxylic acid
CID 107264454
3-ethyl-1-(3,3,3-trifluoropropyl)cyclohexane-1-carboxylic acid
CID 79428854
1-but-3-enyl-3-ethylcyclohexane-1-carboxylic acid
CID 79428476
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 65409274
3-ethyl-1-[(4-iodophenyl)methyl]cyclopentane-1-carboxylic acid
CID 65491186

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid (CID 65409459) is 3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid is CCC1CCC(CCOC)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid?
The InChIKey is VSQXGQYIDKVQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-9-4-5-11(8-9,10(12)13)6-7-14-2/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid?
3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 65409459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).