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

C8H9N3O4S — CID 65214873

IUPAC(2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1csnn1
InChIInChI=1S/C8H9N3O4S/c12-4-1-6(8(14)15)11(2-4)7(13)5-3-16-10-9-5/h3-4,6,12H,1-2H2,(H,14,15)/t4-,6-/m0/s1
InChIKeyJQYMVKPNJCDGFG-NJGYIYPDSA-N
MW243.24 g/mol
LogP-0.80
Rot. Bonds2

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

(2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 65214873) has the molecular formula C8H9N3O4S and a molecular weight of 243.24 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID65214873
Molecular FormulaC8H9N3O4S
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Name(2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1csnn1
InChIInChI=1S/C8H9N3O4S/c12-4-1-6(8(14)15)11(2-4)7(13)5-3-16-10-9-5/h3-4,6,12H,1-2H2,(H,14,15)/t4-,6-/m0/s1
InChIKeyJQYMVKPNJCDGFG-NJGYIYPDSA-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

4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65214861
(4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65214603
(2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65199509
(2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61153426
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 66378244
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43171398
(2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778296
(2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714061
(2R,4R)-1-(5-fluoropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104638295
(2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114269502
(2R,4R)-4-hydroxy-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 79000253
(2S,4R)-4-hydroxy-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778308

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 65214873) is (2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1csnn1.
What is the InChIKey of (2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JQYMVKPNJCDGFG-NJGYIYPDSA-N. The full InChI is InChI=1S/C8H9N3O4S/c12-4-1-6(8(14)15)11(2-4)7(13)5-3-16-10-9-5/h3-4,6,12H,1-2H2,(H,14,15)/t4-,6-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-(thiadiazole-4-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,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65214873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).