n-(4-Cyanophenyl)alanine iso-butyl ester

HCID 54547341
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)COC(=O)[C@H](C)Nc1ccc(C#N)cc1
InChIKey
ZHLBJIOPPOKWHS-NSHDSACASA-N
Molecular formula
C14H18N2O2
Average molar mass
246.3 g/mol

Names & identifiers

Preferred name
n-(4-Cyanophenyl)alanine iso-butyl ester
IUPAC
2-methylpropyl (2S)-2-(4-cyanoanilino)propanoate

Names & synonyms

SCHEMBL4421079ZHLBJIOPPOKWHS-NSHDSACASA-Nn-(4-cyanophenyl)alanine iso-butyl ester

Database identifiers

PubChem CID
54547341

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
62.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
18

Related reactions

13 records
New reaction record

Compound notes

Loading…