Vildagliptin
Properties
- Molecular formula
- C17H25N3O2
- Molar mass
- 303.41 g/mol
- Exact mass
- 303.1947 Da
- Melting point
- 148–150 °C
- logP
- 1.17Crippen estimate
- Polar surface area
- 76.4 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
Identifiers
CAS number
274901-16-5SMILES
N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2InChIKey
SYOKIDBDQMKNDQ-XWTIBIIYSA-NInChI
InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- 2-Pyrrolidinecarbonitrile, 1-[2-[(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)amino]acetyl]-, (2S)-
- 2-Pyrrolidinecarbonitrile, 1-[[(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)amino]acetyl]-, (2S)-
- (2S)-1-[2-[(3-Hydroxytricyclo[3.3.1.13,7]dec-1-yl)amino]acetyl]-2-pyrrolidinecarbonitrile
- LAF 237
- NVP-LAF 237
- Galvus
- Equa
- DSP 7238
- (S)-1-[2-[(3-Hydroxyadamant-1-yl)amino]acetyl]pyrrolidine-2-carbonitrile
- (2S)-1-[2-[(3-Hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile
- Xiliarx
- Jalra
Work with Vildagliptin
Similar compounds
(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile207557-35-547 % similar
Saxagliptin361442-04-839 % similar
1,1-Dimethylethyl 2-cyano-1-pyrrolidinecarboxylate144688-70-038 % similar
Saxagliptin hydrate945667-22-137 % similar
Anagliptin739366-20-237 % similar
2-(3-Hydroxy-1-adamantyl)-2-oxoacetic acid709031-28-731 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds