1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid

C16H16ClNO2S — CID 122036269

IUPAC1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc(-c3ccccc3Cl)s2)C1
InChIInChI=1S/C16H16ClNO2S/c17-14-4-2-1-3-13(14)15-6-5-12(21-15)10-18-8-7-11(9-18)16(19)20/h1-6,11H,7-10H2,(H,19,20)
InChIKeySGNYKKHKVJRJFB-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.97
Rot. Bonds4

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

1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 122036269) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID122036269
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc(-c3ccccc3Cl)s2)C1
InChIInChI=1S/C16H16ClNO2S/c17-14-4-2-1-3-13(14)15-6-5-12(21-15)10-18-8-7-11(9-18)16(19)20/h1-6,11H,7-10H2,(H,19,20)
InChIKeySGNYKKHKVJRJFB-UHFFFAOYSA-N
XLogP3.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[5-(2-chlorophenyl)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-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 122036275
1-[[5-(4-bromophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 122036365
1-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]azetidine-3-carboxylic acid
CID 122046714
2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid
CID 84756419
4-[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509769
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199
1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 50896517
1-[(3-chloro-1-benzothiophen-2-yl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903920
1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 4044656
(2S)-2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 35261539
5-methyl-1-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperidine-3-carboxylic acid
CID 122125407
1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 51063843

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid (CID 122036269) is 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(Cc2ccc(-c3ccccc3Cl)s2)C1.
What is the InChIKey of 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is SGNYKKHKVJRJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c17-14-4-2-1-3-13(14)15-6-5-12(21-15)10-18-8-7-11(9-18)16(19)20/h1-6,11H,7-10H2,(H,19,20).
What are the key properties of 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid?
1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 321.83 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122036269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).