chempirical

L-4-Cyanophenylalanine

C10H10N2O2CAS 167479-78-9190.20 g/mol

Open in Covalent MOL file
OOHH2NN
Carboxylic acidNitrilePrimary amine

Properties

Molecular formula
C10H10N2O2
Molar mass
190.20 g/mol
Exact mass
190.0742 Da
logP
0.51Crippen estimate
Polar surface area
87.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
167479-78-9
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N)C#N
InChIKey
KWIPUXXIFQQMKN-VIFPVBQESA-N
InChI
InChI=1S/C10H10N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1

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Names and synonyms

1 names
  • (L)-4-Cyanophenylalanine

Work with L-4-Cyanophenylalanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Cyano-D-phenylalanine263396-43-671 % similar Phenylalanine63-91-267 % similar D-Phenylalanine673-06-367 % similar D-Tyrosine556-02-565 % similar Dl-tyrosine556-03-665 % similar Tyrosine60-18-465 % similar 4-Amino-dl-phenylalanine2922-41-063 % similar 4-Fluoro-L-phenylalanine1132-68-962 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 4-amino-6-indolecarboxylate121561-15-7 3-Benzoimidazol-1-yl-propionic acid14840-18-7 Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate16205-44-0 Ethyl 1H-pyrrolo(3,2-b)pyridine-2-carboxylate17288-32-3 1H-Benzoimidazole-2-carboxylic acid ethyl ester1865-09-4 2,3-Dimethyl-5-nitro-1H-indole21296-94-6 1H-Benzimidazole-2-propanoic acid23249-97-0 2-Cyano-D-phenylalanine263396-41-4

Elsewhere

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