3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid

C9H14N4O2S — CID 107325141

IUPAC3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCCc1nsc(N2CCC(N)(C(=O)O)C2)n1
InChIInChI=1S/C9H14N4O2S/c1-2-6-11-8(16-12-6)13-4-3-9(10,5-13)7(14)15/h2-5,10H2,1H3,(H,14,15)
InChIKeyMTOBGSIIYRGJIW-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.09
Rot. Bonds3

About 3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107325141) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid
PubChem CID107325141
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCCc1nsc(N2CCC(N)(C(=O)O)C2)n1
InChIInChI=1S/C9H14N4O2S/c1-2-6-11-8(16-12-6)13-4-3-9(10,5-13)7(14)15/h2-5,10H2,1H3,(H,14,15)
InChIKeyMTOBGSIIYRGJIW-UHFFFAOYSA-N
XLogP0.09
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid (CID 107325141) is 3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid is CCc1nsc(N2CCC(N)(C(=O)O)C2)n1.
What is the InChIKey of 3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is MTOBGSIIYRGJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-2-6-11-8(16-12-6)13-4-3-9(10,5-13)7(14)15/h2-5,10H2,1H3,(H,14,15).
What are the key properties of 3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).