(S)-N1-(2-CYCLOPENTYLETHYL)-N1-(2-(HYDROXYAMINO)-2-OXOETHYL)-N2-(3-HYDROXYPHENYL)PYRROLIDINE-1,2-DICARBOXAMIDE

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key AYSAGWYPTFYFKF-SFHVURJKSA-N
Smiles ONC(=O)CN(CCC1CCCC1)C(=O)N2CCC[C@H]2C(=O)Nc3cccc(O)c3
InChI
InChI=1S/C21H30N4O5/c26-17-8-3-7-16(13-17)22-20(28)18-9-4-11-25(18)21(29)24(14-19(27)23-30)12-10-15-5-1-2-6-15/h3,7-8,13,15,18,26,30H,1-2,4-6,9-12,14H2,(H,22,28)(H,23,27)/t18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30N4O5
Molecular Weight 418.49
AlogP 1.76
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 122.21
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 30.0

Cross References

Resources Reference
ChEMBL CHEMBL2236915
PubChem 12134964
CONTENTS