beta-[[[[4-Cyanophenyl]butyl]amino]carbonyl]aminobenzenepropanoic acid

HCID 54501418
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Basic information

Standard SMILES
N#Cc1ccc(CCCCNC(=O)NC(CC(=O)O)c2ccccc2)cc1
InChIKey
YCRTZCYBWRHXSX-UHFFFAOYSA-N
Molecular formula
C21H23N3O3
Average molar mass
365.4 g/mol

Names & identifiers

Preferred name
beta-[[[[4-Cyanophenyl]butyl]amino]carbonyl]aminobenzenepropanoic acid
IUPAC
3-[4-(4-cyanophenyl)butylcarbamoylamino]-3-phenylpropanoic acid

Names & synonyms

SCHEMBL7383847YCRTZCYBWRHXSX-UHFFFAOYSA-Nbeta-[[[[4-Cyanophenyl]butyl]amino]carbonyl]aminobenzenepropanoic acid

Database identifiers

PubChem CID
54501418

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
102 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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