3-cyclopentyl-3-(4-methylphenyl)propanoic acid

C15H20O2 — CID 19938398

IUPAC3-cyclopentyl-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(CC(=O)O)C2CCCC2)cc1
InChIInChI=1S/C15H20O2/c1-11-6-8-13(9-7-11)14(10-15(16)17)12-4-2-3-5-12/h6-9,12,14H,2-5,10H2,1H3,(H,16,17)
InChIKeySZWRCHRREPGMAB-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.74
Rot. Bonds4

About 3-cyclopentyl-3-(4-methylphenyl)propanoic acid

3-cyclopentyl-3-(4-methylphenyl)propanoic acid (PubChem CID 19938398) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-cyclopentyl-3-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-3-(4-methylphenyl)propanoic acid
PubChem CID19938398
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-cyclopentyl-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(CC(=O)O)C2CCCC2)cc1
InChIInChI=1S/C15H20O2/c1-11-6-8-13(9-7-11)14(10-15(16)17)12-4-2-3-5-12/h6-9,12,14H,2-5,10H2,1H3,(H,16,17)
InChIKeySZWRCHRREPGMAB-UHFFFAOYSA-N
XLogP3.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one
CID 97304287
3-cyclopentyl-3-(4-methylphenyl)propanamide
CID 19938383
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
CID 82045590
3-(4-methylphenyl)-3-(7-oxoazepan-2-yl)propanoic acid
CID 18800803
3-cyclobutyl-3-(4-fluoro-3-methylphenyl)propanoic acid
CID 82291605
3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 82045661
3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83819863
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid
CID 82292705
3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide
CID 110306942
3-(cyclohexylamino)-4-hydroxy-4-(4-methylphenyl)butanoic acid
CID 82347449

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-(4-methylphenyl)propanoic acid?
The IUPAC name of 3-cyclopentyl-3-(4-methylphenyl)propanoic acid (CID 19938398) is 3-cyclopentyl-3-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopentyl-3-(4-methylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopentyl-3-(4-methylphenyl)propanoic acid is Cc1ccc(C(CC(=O)O)C2CCCC2)cc1.
What is the InChIKey of 3-cyclopentyl-3-(4-methylphenyl)propanoic acid?
The InChIKey is SZWRCHRREPGMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-6-8-13(9-7-11)14(10-15(16)17)12-4-2-3-5-12/h6-9,12,14H,2-5,10H2,1H3,(H,16,17).
What are the key properties of 3-cyclopentyl-3-(4-methylphenyl)propanoic acid?
3-cyclopentyl-3-(4-methylphenyl)propanoic acid has a molecular weight of 232.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 19938398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).