2-cyclopentyl-2-methoxypropanoic acid

C9H16O3 — CID 83827283

IUPAC2-cyclopentyl-2-methoxypropanoic acid
SMILESCOC(C)(C(=O)O)C1CCCC1
InChIInChI=1S/C9H16O3/c1-9(12-2,8(10)11)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyUJSJHWYJXAXXDN-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.67
Rot. Bonds3

About 2-cyclopentyl-2-methoxypropanoic acid

2-cyclopentyl-2-methoxypropanoic acid (PubChem CID 83827283) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-cyclopentyl-2-methoxypropanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-methoxypropanoic acid
PubChem CID83827283
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-cyclopentyl-2-methoxypropanoic acid
SMILESCOC(C)(C(=O)O)C1CCCC1
InChIInChI=1S/C9H16O3/c1-9(12-2,8(10)11)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyUJSJHWYJXAXXDN-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-methoxypropanoic acid?
The IUPAC name of 2-cyclopentyl-2-methoxypropanoic acid (CID 83827283) is 2-cyclopentyl-2-methoxypropanoic acid.
What is the SMILES notation for 2-cyclopentyl-2-methoxypropanoic acid?
The canonical SMILES for 2-cyclopentyl-2-methoxypropanoic acid is COC(C)(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-methoxypropanoic acid?
The InChIKey is UJSJHWYJXAXXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-9(12-2,8(10)11)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-cyclopentyl-2-methoxypropanoic acid?
2-cyclopentyl-2-methoxypropanoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-methoxypropanoic acid is sourced from PubChem (CID 83827283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).