(2S)-3-cyclopentyl-2-phenylpropanoic acid

C14H18O2 — CID 94855821

IUPAC(2S)-3-cyclopentyl-2-phenylpropanoic acid
SMILESO=C(O)[C@@H](CC1CCCC1)c1ccccc1
InChIInChI=1S/C14H18O2/c15-14(16)13(10-11-6-4-5-7-11)12-8-2-1-3-9-12/h1-3,8-9,11,13H,4-7,10H2,(H,15,16)/t13-/m0/s1
InChIKeyRRAGYLGFTIMREW-ZDUSSCGKSA-N
MW218.30 g/mol
LogP3.44
Rot. Bonds4

About (2S)-3-cyclopentyl-2-phenylpropanoic acid

(2S)-3-cyclopentyl-2-phenylpropanoic acid (PubChem CID 94855821) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-phenylpropanoic acid
PubChem CID94855821
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(2S)-3-cyclopentyl-2-phenylpropanoic acid
SMILESO=C(O)[C@@H](CC1CCCC1)c1ccccc1
InChIInChI=1S/C14H18O2/c15-14(16)13(10-11-6-4-5-7-11)12-8-2-1-3-9-12/h1-3,8-9,11,13H,4-7,10H2,(H,15,16)/t13-/m0/s1
InChIKeyRRAGYLGFTIMREW-ZDUSSCGKSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-N-hydroxy-2-phenylpropanamide
CID 167915890
ethyl (2R)-3-cyclopentyl-2-phenylpropanoate
CID 129391453
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267
(2R)-3-cyclopentyl-2-[4-(sulfinomethyl)phenyl]propanoic acid
CID 174406760
3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid
CID 18626637
3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid
CID 22467900
(2-cyclopentyl-1-phenylethyl)benzene
CID 138978826
2-cyclopentyl-1-phenylethanol
CID 15629098
3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
CID 55146888
3-cyclohexyloxy-2-phenylpropanoic acid
CID 63075152
3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide
CID 166328931
3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid
CID 64558858

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-phenylpropanoic acid?
The IUPAC name of (2S)-3-cyclopentyl-2-phenylpropanoic acid (CID 94855821) is (2S)-3-cyclopentyl-2-phenylpropanoic acid.
What is the SMILES notation for (2S)-3-cyclopentyl-2-phenylpropanoic acid?
The canonical SMILES for (2S)-3-cyclopentyl-2-phenylpropanoic acid is O=C(O)[C@@H](CC1CCCC1)c1ccccc1.
What is the InChIKey of (2S)-3-cyclopentyl-2-phenylpropanoic acid?
The InChIKey is RRAGYLGFTIMREW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18O2/c15-14(16)13(10-11-6-4-5-7-11)12-8-2-1-3-9-12/h1-3,8-9,11,13H,4-7,10H2,(H,15,16)/t13-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-phenylpropanoic acid?
(2S)-3-cyclopentyl-2-phenylpropanoic acid has a molecular weight of 218.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-phenylpropanoic acid is sourced from PubChem (CID 94855821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).