2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid

C14H18O3 — CID 70124455

IUPAC2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc([C@@H]2CCC[C@H]2O)cc1
InChIInChI=1S/C14H18O3/c1-9(14(16)17)10-5-7-11(8-6-10)12-3-2-4-13(12)15/h5-9,12-13,15H,2-4H2,1H3,(H,16,17)/t9?,12-,13+/m0/s1
InChIKeyCUIXOSSBVQCCKY-COKTVNPCSA-N
MW234.30 g/mol
LogP2.50
Rot. Bonds3

About 2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid

2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid (PubChem CID 70124455) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid
PubChem CID70124455
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc([C@@H]2CCC[C@H]2O)cc1
InChIInChI=1S/C14H18O3/c1-9(14(16)17)10-5-7-11(8-6-10)12-3-2-4-13(12)15/h5-9,12-13,15H,2-4H2,1H3,(H,16,17)/t9?,12-,13+/m0/s1
InChIKeyCUIXOSSBVQCCKY-COKTVNPCSA-N
XLogP2.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

Ibuprofen, (+-)-
CID 3672
Felbinac
CID 3332
Loxoprofen
CID 3965
Dexibuprofen
CID 39912
2-Phenylpropionic acid
CID 10296
Ibufenac
CID 15250
Ibuprofen, (-)-
CID 114864
Ibuprofen, Sodium Salt
CID 5338317
Pelubiprofen
CID 5282203
2-Phenylbutyric Acid
CID 7012
Benzeneacetic acid, alpha-methyl-, ethyl ester
CID 99643
Methyl p-tert-butylphenylacetate
CID 605629

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid (CID 70124455) is 2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid is CC(C(=O)O)c1ccc([C@@H]2CCC[C@H]2O)cc1.
What is the InChIKey of 2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid?
The InChIKey is CUIXOSSBVQCCKY-COKTVNPCSA-N. The full InChI is InChI=1S/C14H18O3/c1-9(14(16)17)10-5-7-11(8-6-10)12-3-2-4-13(12)15/h5-9,12-13,15H,2-4H2,1H3,(H,16,17)/t9?,12-,13+/m0/s1.
What are the key properties of 2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid?
2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid has a molecular weight of 234.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid is sourced from PubChem (CID 70124455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).