1-[(1-Adamantylamino)acetyl]-2-pyrrolidinecarbonitrile

Base Information

• Chemical Name: 1-[(1-Adamantylamino)acetyl]-2-pyrrolidinecarbonitrile
• CAS No.: 741657-02-3
• Molecular Formula: C17H25N3O
• Molecular Weight: 287.4
• ChEMBL ID: CHEMBL319080
• Pharos Ligand ID: 8RC11WQRC1C3
• Mol file: 741657-02-3.mol

Synonyms:CHEMBL319080;SCHEMBL13316742;BDBM12466;BDBM50129945;741657-02-3;CS-0165374;(S)-1-(Adamantan-1-ylglycyl)pyrrolidine-2-carbonitrile;1-[(1-Adamantylamino)acetyl]-2-pyrrolidinecarbonitrile;1-[2-(Adamantan-1-ylamino)-acetyl]-pyrrolidine-2-carbonitrile;(2S)-1-[2-(adamantan-1-ylamino)acetyl]pyrrolidine-2-carbonitrile;(S)-1-(2-((3R,5R,7R)-adamantan-1-ylamino)acetyl)pyrrolidine-2-carbonitrile? (Vildagliptin Impurity pound(c)

Chemical Property of 1-[(1-Adamantylamino)acetyl]-2-pyrrolidinecarbonitrile

Chemical Property:

• PKA: 8.85±0.20(Predicted)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 287.199762429
• Heavy Atom Count: 21
• Complexity: 450

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)C3)C#N
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)C3)C#N