(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid

C13H11ClO2S — CID 42051111

IUPAC(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)[C@@H](Cc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClO2S/c14-10-5-3-9(4-6-10)12(13(15)16)8-11-2-1-7-17-11/h1-7,12H,8H2,(H,15,16)/t12-/m0/s1
InChIKeyJPSLSIJWIHDXBM-LBPRGKRZSA-N
MW266.75 g/mol
LogP3.81
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid

(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid (PubChem CID 42051111) has the molecular formula C13H11ClO2S and a molecular weight of 266.75 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid
PubChem CID42051111
Molecular FormulaC13H11ClO2S
Molecular Weight266.75 g/mol
Exact Mass266.02
IUPAC Name(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)[C@@H](Cc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClO2S/c14-10-5-3-9(4-6-10)12(13(15)16)8-11-2-1-7-17-11/h1-7,12H,8H2,(H,15,16)/t12-/m0/s1
InChIKeyJPSLSIJWIHDXBM-LBPRGKRZSA-N
XLogP3.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic 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

2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110296640
(2R)-2-phenyl-3-thiophen-2-ylpropanoate
CID 6920017
2-[3-bromo-2-(4-chlorophenyl)propyl]thiophene
CID 79434107
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
2-(4-chlorophenyl)-4-fluorobutanoic acid
CID 80694462
(2S)-2,4-bis(4-chlorophenyl)butanoic acid
CID 129322566
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-thiophen-2-ylpropanamide
CID 110296645
3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
CID 113428295
2-[(3-chlorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60793081
2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid
CID 63073472
2,3-dimethyl-4-thiophen-2-ylbutanoic acid
CID 81007832

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid (CID 42051111) is (2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid is O=C(O)[C@@H](Cc1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid?
The InChIKey is JPSLSIJWIHDXBM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H11ClO2S/c14-10-5-3-9(4-6-10)12(13(15)16)8-11-2-1-7-17-11/h1-7,12H,8H2,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid?
(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid has a molecular weight of 266.75 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 42051111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).