(2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C13H16N2O4S — CID 78999428

IUPAC(2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C13H16N2O4S/c16-9-5-10(12(17)18)15(7-9)13(19)14-3-1-11-8(6-14)2-4-20-11/h2,4,9-10,16H,1,3,5-7H2,(H,17,18)/t9-,10-/m1/s1
InChIKeyDCOHLVNOKHODLP-NXEZZACHSA-N
MW296.35 g/mol
LogP0.75
Rot. Bonds1

About (2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 78999428) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is (2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID78999428
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name(2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C13H16N2O4S/c16-9-5-10(12(17)18)15(7-9)13(19)14-3-1-11-8(6-14)2-4-20-11/h2,4,9-10,16H,1,3,5-7H2,(H,17,18)/t9-,10-/m1/s1
InChIKeyDCOHLVNOKHODLP-NXEZZACHSA-N
XLogP0.75
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61187263
(2R,4R)-4-hydroxy-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 106316043
(2S,4S)-4-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 79005333
(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187508
(2S,4R)-4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844220
4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55032221
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359
(2S)-1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910319
(2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78999935
4-hydroxy-1-(1,4-thiazepane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61423278

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 78999428) is (2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)N1CCc2sccc2C1.
What is the InChIKey of (2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is DCOHLVNOKHODLP-NXEZZACHSA-N. The full InChI is InChI=1S/C13H16N2O4S/c16-9-5-10(12(17)18)15(7-9)13(19)14-3-1-11-8(6-14)2-4-20-11/h2,4,9-10,16H,1,3,5-7H2,(H,17,18)/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 296.35 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78999428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).