L-2-Cyanophenylalanine

C10H10N2O2CAS 263396-42-5190.20 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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
263396-42-5
SMILES
C1=CC=C(C(=C1)C[C@@H](C(=O)O)N)C#N
InChIKey
OCDHPLVCNWBKJN-VIFPVBQESA-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-/m0/s1

Weigh it out

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

Work with L-2-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Cyano-D-phenylalanine263396-41-4Enantiomer

Similar compounds

(±)-O-Tyrosine2370-61-864 % similar (2R)-2-Amino-3-(2-bromophenyl)propanoic acid267225-27-464 % similar 2-Bromophenylalanine42538-40-964 % similar 2-Chloro-L-phenylalanine103616-89-363 % similar 2-Fluoro-L-phenylalanine19883-78-463 % similar Dl-2'-methylphenylalanine hydrochloride22888-51-363 % similar DL-2-Fluorophenylalanine2629-55-263 % similar Dl-3-(1-naphthyl)alanine28095-56-963 % 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 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

Elsewhere

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