(2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid

C16H22N2O3S — CID 119914171

About (2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 119914171) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is (2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
• PubChem CID: 119914171
• Molecular Formula: C16H22N2O3S
• Molecular Weight: 322.43 g/mol
• Exact Mass: 322.14
• IUPAC Name: (2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
• SMILES: CCC1c2ccsc2CCN1C(=O)CN1CCC[C@@H]1C(=O)O
• InChI: InChI=1S/C16H22N2O3S/c1-2-12-11-6-9-22-14(11)5-8-18(12)15(19)10-17-7-3-4-13(17)16(20)21/h6,9,12-13H,2-5,7-8,10H2,1H3,(H,20,21)/t12?,13-/m1/s1
• InChIKey: JKJDXZDZECBZQW-ZGTCLIOFSA-N
• XLogP: 2.13
• TPSA: 60.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.43
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid?

The IUPAC name of (2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 119914171) is (2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid.

What is the SMILES notation for (2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid?

The canonical SMILES for (2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid is CCC1c2ccsc2CCN1C(=O)CN1CCC[C@@H]1C(=O)O.

What is the InChIKey of (2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid?

The InChIKey is JKJDXZDZECBZQW-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-2-12-11-6-9-22-14(11)5-8-18(12)15(19)10-17-7-3-4-13(17)16(20)21/h6,9,12-13H,2-5,7-8,10H2,1H3,(H,20,21)/t12?,13-/m1/s1.

What are the key properties of (2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid?

(2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 322.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119914171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).