2-cyclopentyl-2-methoxyacetic acid

C8H14O3 — CID 19380989

IUPAC2-cyclopentyl-2-methoxyacetic acid
SMILESCOC(C(=O)O)C1CCCC1
InChIInChI=1S/C8H14O3/c1-11-7(8(9)10)6-4-2-3-5-6/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyQBQKPIZWLMCGBU-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.28
Rot. Bonds3

About 2-cyclopentyl-2-methoxyacetic acid

2-cyclopentyl-2-methoxyacetic acid (PubChem CID 19380989) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-cyclopentyl-2-methoxyacetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-methoxyacetic acid
PubChem CID19380989
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-cyclopentyl-2-methoxyacetic acid
SMILESCOC(C(=O)O)C1CCCC1
InChIInChI=1S/C8H14O3/c1-11-7(8(9)10)6-4-2-3-5-6/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyQBQKPIZWLMCGBU-UHFFFAOYSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-2-methoxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-methoxyacetic acid?
The IUPAC name of 2-cyclopentyl-2-methoxyacetic acid (CID 19380989) is 2-cyclopentyl-2-methoxyacetic acid.
What is the SMILES notation for 2-cyclopentyl-2-methoxyacetic acid?
The canonical SMILES for 2-cyclopentyl-2-methoxyacetic acid is COC(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-methoxyacetic acid?
The InChIKey is QBQKPIZWLMCGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-11-7(8(9)10)6-4-2-3-5-6/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-cyclopentyl-2-methoxyacetic acid?
2-cyclopentyl-2-methoxyacetic acid has a molecular weight of 158.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-methoxyacetic acid is sourced from PubChem (CID 19380989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).