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

C9H11N3O3S — CID 28777880

IUPAC(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1nnsc1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C9H11N3O3S/c1-5-7(16-11-10-5)8(13)12-4-2-3-6(12)9(14)15/h6H,2-4H2,1H3,(H,14,15)/t6-/m0/s1
InChIKeyVBGOVYNORPVJIF-LURJTMIESA-N
MW241.27 g/mol
LogP0.54
Rot. Bonds2

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

(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 28777880) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is (2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID28777880
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1nnsc1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C9H11N3O3S/c1-5-7(16-11-10-5)8(13)12-4-2-3-6(12)9(14)15/h6H,2-4H2,1H3,(H,14,15)/t6-/m0/s1
InChIKeyVBGOVYNORPVJIF-LURJTMIESA-N
XLogP0.54
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 28777880) is (2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid is Cc1nnsc1C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VBGOVYNORPVJIF-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-5-7(16-11-10-5)8(13)12-4-2-3-6(12)9(14)15/h6H,2-4H2,1H3,(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28777880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).