4-methoxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid

C8H11N3O3S — CID 65272821

IUPAC4-methoxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2ncns2)C1
InChIInChI=1S/C8H11N3O3S/c1-14-5-2-6(7(12)13)11(3-5)8-9-4-10-15-8/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyUBJMTDVRMBPNLL-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.22
Rot. Bonds3

About 4-methoxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid (PubChem CID 65272821) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-methoxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
PubChem CID65272821
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name4-methoxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2ncns2)C1
InChIInChI=1S/C8H11N3O3S/c1-14-5-2-6(7(12)13)11(3-5)8-9-4-10-15-8/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyUBJMTDVRMBPNLL-UHFFFAOYSA-N
XLogP0.22
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid (CID 65272821) is 4-methoxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(c2ncns2)C1.
What is the InChIKey of 4-methoxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is UBJMTDVRMBPNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-14-5-2-6(7(12)13)11(3-5)8-9-4-10-15-8/h4-6H,2-3H2,1H3,(H,12,13).
What are the key properties of 4-methoxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 229.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65272821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).