Vildagliptin
(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile
Molecular Identity
Vildagliptin
(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile
PubChem CID: 6918537
Vildagliptin is an amino acid amide.
2D Structure
Properties
C17H25N3O2
Molecular Formula
303.40
Molecular Weight
g/mol
303.1947
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
76.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
523
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#NIsomeric SMILES
SMILES: C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#NSynonyms(20)
VildagliptinGalvus274901-16-5NVP-LAF237EquaLAF237LAF-237VitagliptinNVP-LAF 237(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrilevildagliptineVildagliptinaI6B4B2U96P(2S)-(((3-hydroxyadamantan-1-yl)amino)acetyl)pyrrolidine-2-carbonitrileDTXSID80881091
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Vildagliptin
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