Boc-L-2-cyanophenylalanine

C15H18N2O4CAS 216312-53-7290.32 g/mol

Open in Covalent MOL file
OONHNOHO
CarbamateCarboxylic acidNitrile

Properties

Molecular formula
C15H18N2O4
Molar mass
290.32 g/mol
Exact mass
290.1267 Da
logP
2.08Crippen estimate
Polar surface area
99.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
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
216312-53-7
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1C#N)C(=O)O
InChIKey
AJHPGXZOIAYYDW-LBPRGKRZSA-N
InChI
InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-6-4-5-7-11(10)9-16/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1

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Names and synonyms

1 names
  • Boc-2-cyano-L-phenylalanine

Work with Boc-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.

Boc-D-2-cyanophenylalanine261380-28-3Enantiomer

Similar compounds

(2S)-3-(2-Bromophenyl)-2-(((tert-butoxy)carbonyl)amino)propanoic acid261165-02-071 % similar Boc-2-methyl-D-phenylalanine80102-29-071 % similar Boc-2-chloro-L-phenylalanine114873-02-870 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid80102-23-470 % similar Boc-L-2-trifluoromethylphe167993-21-767 % similar Boc-dl-phe-oh4530-18-167 % similar Boc-D-4,4'-biphenylalanine128779-47-565 % similar Boc-L-4,4'-biphenylalanine147923-08-865 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine131724-45-3 3-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine131980-30-8 Boc-D-phe(3-CN)-OH205445-56-3

Elsewhere

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