3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid

C11H14FN3O5 — CID 119258608

IUPAC3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1noc(COCC(=O)N2CCC(F)(C(=O)O)C2)n1
InChIInChI=1S/C11H14FN3O5/c1-7-13-8(20-14-7)4-19-5-9(16)15-3-2-11(12,6-15)10(17)18/h2-6H2,1H3,(H,17,18)
InChIKeyACLQVYNEYXAZIS-UHFFFAOYSA-N
MW287.25 g/mol
LogP-0.08
Rot. Bonds5

About 3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid

3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 119258608) has the molecular formula C11H14FN3O5 and a molecular weight of 287.25 g/mol. Its IUPAC name is 3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid
PubChem CID119258608
Molecular FormulaC11H14FN3O5
Molecular Weight287.25 g/mol
Exact Mass287.09
IUPAC Name3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1noc(COCC(=O)N2CCC(F)(C(=O)O)C2)n1
InChIInChI=1S/C11H14FN3O5/c1-7-13-8(20-14-7)4-19-5-9(16)15-3-2-11(12,6-15)10(17)18/h2-6H2,1H3,(H,17,18)
InChIKeyACLQVYNEYXAZIS-UHFFFAOYSA-N
XLogP-0.08
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid (CID 119258608) is 3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid is Cc1noc(COCC(=O)N2CCC(F)(C(=O)O)C2)n1.
What is the InChIKey of 3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ACLQVYNEYXAZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O5/c1-7-13-8(20-14-7)4-19-5-9(16)15-3-2-11(12,6-15)10(17)18/h2-6H2,1H3,(H,17,18).
What are the key properties of 3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid?
3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 287.25 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).