N-(1-Cyano-3-Phenylpropyl)-L-Alanine Benzylester

HCID 13826599
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Basic information

Standard SMILES
C[C@H](NC(C#N)CCc1ccccc1)C(=O)OCc1ccccc1
InChIKey
KIORUAKTGMRDOE-UCFFOFKASA-N
Molecular formula
C20H22N2O2
Average molar mass
322.4 g/mol

Names & identifiers

Preferred name
N-(1-Cyano-3-Phenylpropyl)-L-Alanine Benzylester
IUPAC
benzyl (2S)-2-[(1-cyano-3-phenylpropyl)amino]propanoate

Names & synonyms

SCHEMBL10801257KIORUAKTGMRDOE-UCFFOFKASA-NN-(1-Cyano-3-Phenylpropyl)-L-Alanine Benzylester

Database identifiers

PubChem CID
13826599

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
62.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
24

Related reactions

1 records
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Compound notes

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