(2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid

C8H9N3O4S — CID 61153426

IUPAC(2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)c1cnsn1
InChIInChI=1S/C8H9N3O4S/c12-4-1-6(8(14)15)11(3-4)7(13)5-2-9-16-10-5/h2,4,6,12H,1,3H2,(H,14,15)/t4?,6-/m0/s1
InChIKeyWLIHFKOMAHPIHR-RZKHNPSRSA-N
MW243.24 g/mol
LogP-0.80
Rot. Bonds2

About (2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61153426) has the molecular formula C8H9N3O4S and a molecular weight of 243.24 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61153426
Molecular FormulaC8H9N3O4S
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Name(2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)c1cnsn1
InChIInChI=1S/C8H9N3O4S/c12-4-1-6(8(14)15)11(3-4)7(13)5-2-9-16-10-5/h2,4,6,12H,1,3H2,(H,14,15)/t4?,6-/m0/s1
InChIKeyWLIHFKOMAHPIHR-RZKHNPSRSA-N
XLogP-0.80
TPSA103.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65214873
4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65214861
(2R,4R)-1-(5-fluoropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104638295
(2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65199509
(3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 106671257
(2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778296
(2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61153107
(2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114269502
(2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714061
(2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63856378
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 66378244
(2R,4R)-4-hydroxy-1-[5-(trifluoromethyl)pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 104982835

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 61153426) is (2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1C(=O)c1cnsn1.
What is the InChIKey of (2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WLIHFKOMAHPIHR-RZKHNPSRSA-N. The full InChI is InChI=1S/C8H9N3O4S/c12-4-1-6(8(14)15)11(3-4)7(13)5-2-9-16-10-5/h2,4,6,12H,1,3H2,(H,14,15)/t4?,6-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 243.24 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61153426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).