4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid

C13H14N4O4 — CID 114351352

IUPAC4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C13H14N4O4/c18-8-5-10(13(19)20)17(6-8)7-11-15-12(16-21-11)9-3-1-2-4-14-9/h1-4,8,10,18H,5-7H2,(H,19,20)
InChIKeyVYPOJPWBBIJQEU-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.15
Rot. Bonds4

About 4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 114351352) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID114351352
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C13H14N4O4/c18-8-5-10(13(19)20)17(6-8)7-11-15-12(16-21-11)9-3-1-2-4-14-9/h1-4,8,10,18H,5-7H2,(H,19,20)
InChIKeyVYPOJPWBBIJQEU-UHFFFAOYSA-N
XLogP0.15
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid (CID 114351352) is 4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1Cc1nc(-c2ccccn2)no1.
What is the InChIKey of 4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VYPOJPWBBIJQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c18-8-5-10(13(19)20)17(6-8)7-11-15-12(16-21-11)9-3-1-2-4-14-9/h1-4,8,10,18H,5-7H2,(H,19,20).
What are the key properties of 4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).