3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid

C15H20O3 — CID 22315267

IUPAC3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C(CC2CCCC2)C(=O)O)c1
InChIInChI=1S/C15H20O3/c1-18-13-8-4-7-12(10-13)14(15(16)17)9-11-5-2-3-6-11/h4,7-8,10-11,14H,2-3,5-6,9H2,1H3,(H,16,17)
InChIKeyUPWXEYZBUKUYQI-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.44
Rot. Bonds5

About 3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid

3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid (PubChem CID 22315267) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
PubChem CID22315267
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C(CC2CCCC2)C(=O)O)c1
InChIInChI=1S/C15H20O3/c1-18-13-8-4-7-12(10-13)14(15(16)17)9-11-5-2-3-6-11/h4,7-8,10-11,14H,2-3,5-6,9H2,1H3,(H,16,17)
InChIKeyUPWXEYZBUKUYQI-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
(2R)-2-(3-methoxyphenyl)pent-4-enoic acid
CID 124706268
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
4-amino-2-(3-methoxyphenyl)-4-oxobutanoic acid
CID 141007256
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
1-cyclohexyl-2-(3-methoxyphenyl)-4-methylpentan-1-one
CID 86259898
5-amino-2-(3-methoxyphenyl)pentanoic acid
CID 112511837
2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 82095275
(2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid
CID 97262837

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid?
The IUPAC name of 3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid (CID 22315267) is 3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid is COc1cccc(C(CC2CCCC2)C(=O)O)c1.
What is the InChIKey of 3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid?
The InChIKey is UPWXEYZBUKUYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-18-13-8-4-7-12(10-13)14(15(16)17)9-11-5-2-3-6-11/h4,7-8,10-11,14H,2-3,5-6,9H2,1H3,(H,16,17).
What are the key properties of 3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid?
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 22315267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).