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

C15H20O3 — CID 13148395

IUPAC2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1
InChIInChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10?,13-,14+/m1/s1
InChIKeySHAHPWSYJFYMRX-ADSMYIAOSA-N
MW248.32 g/mol
LogP2.58
Rot. Bonds4

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

2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid (PubChem CID 13148395) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid
PubChem CID13148395
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1
InChIInChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10?,13-,14+/m1/s1
InChIKeySHAHPWSYJFYMRX-ADSMYIAOSA-N
XLogP2.58
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid
CID 10037656
(3S)-3-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]butan-2-one
CID 167002857
2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid
CID 131668289
2-ethoxycarbonyloxypropan-2-yl (2S)-2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoate
CID 163882246
2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid
CID 105344947
cyclohexyl [(5S)-5-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]-2-methyl-4-oxohexan-2-yl] carbonate
CID 164936777
2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]propanoic acid
CID 105346217
2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid
CID 70124455
sodium;hydride;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid;hydrate
CID 173000744
2-(4-cyclobutylphenyl)propanoic acid
CID 116506632
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenyl]propanoic acid
CID 106362480

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid (CID 13148395) is 2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid is CC(C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1.
What is the InChIKey of 2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid?
The InChIKey is SHAHPWSYJFYMRX-ADSMYIAOSA-N. The full InChI is InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10?,13-,14+/m1/s1.
What are the key properties of 2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid?
2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid has a molecular weight of 248.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid is sourced from PubChem (CID 13148395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).