1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid

C16H15Cl2NO2S — CID 122036275

IUPAC1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)s2)C1
InChIInChI=1S/C16H15Cl2NO2S/c17-13-3-1-10(7-14(13)18)15-4-2-12(22-15)9-19-6-5-11(8-19)16(20)21/h1-4,7,11H,5-6,8-9H2,(H,20,21)
InChIKeyIZZSUBGMLIRWCP-UHFFFAOYSA-N
MW356.27 g/mol
LogP4.63
Rot. Bonds4

About 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid

1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 122036275) has the molecular formula C16H15Cl2NO2S and a molecular weight of 356.27 g/mol. Its IUPAC name is 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID122036275
Molecular FormulaC16H15Cl2NO2S
Molecular Weight356.27 g/mol
Exact Mass355.02
IUPAC Name1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)s2)C1
InChIInChI=1S/C16H15Cl2NO2S/c17-13-3-1-10(7-14(13)18)15-4-2-12(22-15)9-19-6-5-11(8-19)16(20)21/h1-4,7,11H,5-6,8-9H2,(H,20,21)
InChIKeyIZZSUBGMLIRWCP-UHFFFAOYSA-N
XLogP4.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic 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

1-[[5-(4-bromophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 122036365
1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 122036269
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 122036293
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63031516
1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 50896517
4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]benzoic acid
CID 58256876
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199
1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 4044656
(3R)-1-[(4-bromothiophen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 129368760
1-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 102845084
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63030493
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63030665

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid (CID 122036275) is 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)s2)C1.
What is the InChIKey of 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is IZZSUBGMLIRWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2S/c17-13-3-1-10(7-14(13)18)15-4-2-12(22-15)9-19-6-5-11(8-19)16(20)21/h1-4,7,11H,5-6,8-9H2,(H,20,21).
What are the key properties of 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid?
1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 356.27 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122036275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).