(2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid

C13H16O3 — CID 948619

IUPAC(2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid
SMILESO=C(O)[C@@](O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)/t13-/m1/s1
InChIKeyWFLUEQCOAQCQLP-CYBMUJFWSA-N
MW220.27 g/mol
LogP2.15
Rot. Bonds3

About (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid

(2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid (PubChem CID 948619) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid
PubChem CID948619
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid
SMILESO=C(O)[C@@](O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)/t13-/m1/s1
InChIKeyWFLUEQCOAQCQLP-CYBMUJFWSA-N
XLogP2.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid?
The IUPAC name of (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid (CID 948619) is (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid?
The canonical SMILES for (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid is O=C(O)[C@@](O)(c1ccccc1)C1CCCC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid?
The InChIKey is WFLUEQCOAQCQLP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)/t13-/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid?
(2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid has a molecular weight of 220.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid is sourced from PubChem (CID 948619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).