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

C15H16N2O2S — CID 5033531

IUPAC1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1ccsc1)c1ccccn1
InChIInChI=1S/C15H16N2O2S/c18-15(19)13-5-3-8-17(13)14(11-6-9-20-10-11)12-4-1-2-7-16-12/h1-2,4,6-7,9-10,13-14H,3,5,8H2,(H,18,19)
InChIKeyXHWDLFKSTKSQKO-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.78
Rot. Bonds4

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

1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 5033531) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID5033531
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1ccsc1)c1ccccn1
InChIInChI=1S/C15H16N2O2S/c18-15(19)13-5-3-8-17(13)14(11-6-9-20-10-11)12-4-1-2-7-16-12/h1-2,4,6-7,9-10,13-14H,3,5,8H2,(H,18,19)
InChIKeyXHWDLFKSTKSQKO-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

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Related Compounds

1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 3571659
1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 4589544
1-[(3-chlorophenyl)-pyridin-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3468242
1-[(5-chlorothiophen-2-yl)-pyridin-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3521832
1-[(4-phenylmethoxyphenyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 5115261
1-[(2-phenylmethoxyphenyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4664457
1-[(3-methylphenyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3986635
1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4587706
1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 3510647
1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid
CID 3968160
1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 3911315
1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3957689

Frequently Asked Questions

What is the IUPAC name of 1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid (CID 5033531) is 1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(c1ccsc1)c1ccccn1.
What is the InChIKey of 1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XHWDLFKSTKSQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-15(19)13-5-3-8-17(13)14(11-6-9-20-10-11)12-4-1-2-7-16-12/h1-2,4,6-7,9-10,13-14H,3,5,8H2,(H,18,19).
What are the key properties of 1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[pyridin-2-yl(thiophen-3-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-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 5033531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).