2-(2H-oxadiazol-3-yl)pyrrolidine-1-carboxylic acid

C7H11N3O3 — CID 130454602

IUPAC2-(2H-oxadiazol-3-yl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1N1C=CON1
InChIInChI=1S/C7H11N3O3/c11-7(12)9-3-1-2-6(9)10-4-5-13-8-10/h4-6,8H,1-3H2,(H,11,12)
InChIKeyZPHDBZLUBULRAK-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.31
Rot. Bonds1

About 2-(2H-oxadiazol-3-yl)pyrrolidine-1-carboxylic acid

2-(2H-oxadiazol-3-yl)pyrrolidine-1-carboxylic acid (PubChem CID 130454602) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-(2H-oxadiazol-3-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2H-oxadiazol-3-yl)pyrrolidine-1-carboxylic acid
PubChem CID130454602
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-(2H-oxadiazol-3-yl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1N1C=CON1
InChIInChI=1S/C7H11N3O3/c11-7(12)9-3-1-2-6(9)10-4-5-13-8-10/h4-6,8H,1-3H2,(H,11,12)
InChIKeyZPHDBZLUBULRAK-UHFFFAOYSA-N
XLogP0.31
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-oxadiazol-3-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(2H-oxadiazol-3-yl)pyrrolidine-1-carboxylic acid (CID 130454602) is 2-(2H-oxadiazol-3-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(2H-oxadiazol-3-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(2H-oxadiazol-3-yl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1N1C=CON1.
What is the InChIKey of 2-(2H-oxadiazol-3-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is ZPHDBZLUBULRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c11-7(12)9-3-1-2-6(9)10-4-5-13-8-10/h4-6,8H,1-3H2,(H,11,12).
What are the key properties of 2-(2H-oxadiazol-3-yl)pyrrolidine-1-carboxylic acid?
2-(2H-oxadiazol-3-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-oxadiazol-3-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 130454602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).