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

C9H11N3O4S — CID 28778336

IUPAC(2S,4S)-4-hydroxy-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1nnsc1C(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C9H11N3O4S/c1-4-7(17-11-10-4)8(14)12-3-5(13)2-6(12)9(15)16/h5-6,13H,2-3H2,1H3,(H,15,16)/t5-,6-/m0/s1
InChIKeyOFESHKKSOAJZJH-WDSKDSINSA-N
MW257.27 g/mol
LogP-0.49
Rot. Bonds2

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

(2S,4S)-4-hydroxy-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 28778336) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID28778336
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name(2S,4S)-4-hydroxy-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1nnsc1C(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C9H11N3O4S/c1-4-7(17-11-10-4)8(14)12-3-5(13)2-6(12)9(15)16/h5-6,13H,2-3H2,1H3,(H,15,16)/t5-,6-/m0/s1
InChIKeyOFESHKKSOAJZJH-WDSKDSINSA-N
XLogP-0.49
TPSA103.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 28778336) is (2S,4S)-4-hydroxy-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid is Cc1nnsc1C(=O)N1C[C@@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-4-hydroxy-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OFESHKKSOAJZJH-WDSKDSINSA-N. The full InChI is InChI=1S/C9H11N3O4S/c1-4-7(17-11-10-4)8(14)12-3-5(13)2-6(12)9(15)16/h5-6,13H,2-3H2,1H3,(H,15,16)/t5-,6-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 257.27 g/mol, XLogP of -0.49, 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-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28778336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).