2-Cyano-D-phenylalanine

C₁₀H₁₀N₂O₂CAS 263396-41-4190.20 g/mol

Open in Covalent MOL file

Carboxylic acid Nitrile Primary 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

263396-41-4

SMILES

N#Cc1ccccc1C[C@@H](N)C(=O)O

InChIKey

OCDHPLVCNWBKJN-SECBINFHSA-N

InChI

InChI=1S/C10H10N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

D-Phenylalanine, 2-cyano-
D-2-Cyanophenylalanine
(R)-2-Amino-3-(2-cyanophenyl)propionic acid
(2R)-2-Amino-3-(2-cyanophenyl)propanoic acid

Work with 2-Cyano-D-phenylalanine

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

(±)-O-Tyrosine2370-61-864 % similar 2-Chloro-L-phenylalanine103616-89-363 % similar 2-Fluoro-L-phenylalanine19883-78-463 % similar Dl-2-fluorophenylalanine2629-55-263 % similar 2-Methyl-L-phenylalanine80126-53-063 % similar 2-Methyl-D-phenylalanine80126-54-163 % similar Phenylalanine63-91-258 % similar D-Phenylalanine673-06-358 % 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 2,3-Dimethyl-5-nitro-1H-indole21296-94-6 1H-Benzimidazole-2-propanoic acid23249-97-0 3-Cyano-D-phenylalanine263396-43-6 5-(Phenylmethyl)-2,4-imidazolidinedione3530-82-3 2,3-Dimethyl-7-nitro-1H-indole41018-86-4 Ethyl 3-indazolecarboxylate4498-68-4

Elsewhere

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