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

C15H16N2O2S — CID 4660480

IUPAC1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1cccnc1)c1cccs1
InChIInChI=1S/C15H16N2O2S/c18-15(19)12-5-2-8-17(12)14(13-6-3-9-20-13)11-4-1-7-16-10-11/h1,3-4,6-7,9-10,12,14H,2,5,8H2,(H,18,19)
InChIKeyWGQMVGWHIMNCBA-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.78
Rot. Bonds4

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

1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 4660480) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID4660480
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1cccnc1)c1cccs1
InChIInChI=1S/C15H16N2O2S/c18-15(19)12-5-2-8-17(12)14(13-6-3-9-20-13)11-4-1-7-16-10-11/h1,3-4,6-7,9-10,12,14H,2,5,8H2,(H,18,19)
InChIKeyWGQMVGWHIMNCBA-UHFFFAOYSA-N
XLogP2.78
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-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-[(4-methylthiophen-2-yl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
CID 3990100
1-[(3-methoxyphenyl)-thiophen-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4994063
1-[1-benzothiophen-2-yl(pyridin-3-yl)methyl]piperidine-2-carboxylic acid
CID 4290009
1-[(2-chlorophenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 5160603
1-[[4-(dimethylamino)phenyl]-thiophen-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 5091825
1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3919091
1-[(3,4-dichlorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid
CID 3945278
1-[1,3-benzothiazol-2-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3902125
1-[(3-methoxyphenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid
CID 4009293
1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3936447
1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
CID 3942508
1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4209343

Frequently Asked Questions

What is the IUPAC name of 1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid (CID 4660480) is 1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(c1cccnc1)c1cccs1.
What is the InChIKey of 1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WGQMVGWHIMNCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-15(19)12-5-2-8-17(12)14(13-6-3-9-20-13)11-4-1-7-16-10-11/h1,3-4,6-7,9-10,12,14H,2,5,8H2,(H,18,19).
What are the key properties of 1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 4660480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).