3-Cyano-D-phenylalanine

C₁₀H₁₀N₂O₂CAS 263396-43-6190.20 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

263396-43-6

SMILES

N#Cc1cccc(C[C@@H](N)C(=O)O)c1

InChIKey

ZHUOMTMPTNZOJE-SECBINFHSA-N

InChI

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

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

Names and synonyms

4 names

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

Work with 3-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

L-M-Tyrosine587-33-768 % similar Dl-M-tyrosine775-06-468 % similar Phenylalanine63-91-264 % similar D-Phenylalanine673-06-364 % similar 3-Fluoro-D-phenylalanine110117-84-563 % similar 3-Fluoro-L-phenylalanine19883-77-363 % similar 3-Fluorophenylalanine2629-54-163 % similar 3-Fluorophenylalanine456-88-263 % 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 L-4-Cyanophenylalanine167479-78-9 2,3-Dimethyl-5-nitro-1H-indole21296-94-6 1H-Benzimidazole-2-propanoic acid23249-97-0 2-Cyano-D-phenylalanine263396-41-4 5-(Phenylmethyl)-2,4-imidazolidinedione3530-82-3

Elsewhere

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