1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid

C11H15N3O3S — CID 65272820

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C11H15N3O3S/c1-17-7-4-8(10(15)16)14(5-7)11-12-9(13-18-11)6-2-3-6/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyOHQQAWXQAMCMCE-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.09
Rot. Bonds4

About 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 65272820) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID65272820
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C11H15N3O3S/c1-17-7-4-8(10(15)16)14(5-7)11-12-9(13-18-11)6-2-3-6/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyOHQQAWXQAMCMCE-UHFFFAOYSA-N
XLogP1.09
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid (CID 65272820) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is OHQQAWXQAMCMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-17-7-4-8(10(15)16)14(5-7)11-12-9(13-18-11)6-2-3-6/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65272820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).