1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

C9H12N4O4 — CID 79369732

IUPAC1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)c1nonc1N
InChIInChI=1S/C9H12N4O4/c1-4-5(9(15)16)2-3-13(4)8(14)6-7(10)12-17-11-6/h4-5H,2-3H2,1H3,(H2,10,12)(H,15,16)
InChIKeyBAXDUIQYAILSPW-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.41
Rot. Bonds2

About 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79369732) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79369732
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)c1nonc1N
InChIInChI=1S/C9H12N4O4/c1-4-5(9(15)16)2-3-13(4)8(14)6-7(10)12-17-11-6/h4-5H,2-3H2,1H3,(H2,10,12)(H,15,16)
InChIKeyBAXDUIQYAILSPW-UHFFFAOYSA-N
XLogP-0.41
TPSA122.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (CID 79369732) is 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)c1nonc1N.
What is the InChIKey of 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is BAXDUIQYAILSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c1-4-5(9(15)16)2-3-13(4)8(14)6-7(10)12-17-11-6/h4-5H,2-3H2,1H3,(H2,10,12)(H,15,16).
What are the key properties of 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79369732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).