3-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine
Properties
- Molecular formula
- C15H18N2O4
- Molar mass
- 290.32 g/mol
- Exact mass
- 290.1267 Da
- logP
- 2.28Crippen estimate
- Polar surface area
- 102.9 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 4
- Stereocentres
- Rin SMILES atom order
Identifiers
CAS number
205445-56-3SMILES
CC(C)(C)OC(O)=N[C@H](Cc1cccc(C#N)c1)C(=O)OInChIKey
FDQDHMZKOPOWFE-GFCCVEGCSA-NInChI
InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-5-4-6-11(7-10)9-16/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- D-Phenylalanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]-
Work with 3-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine
Similar compounds
N-tert-Butoxycarbonyl-D-phenylalanine18942-49-974 % similar
N-[(1,1-Dimethylethoxy)carbonyl]-3-fluoro-L-phenylalanine114873-01-772 % similar
3-Chloro-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine114873-03-972 % similar
N-[(1,1-Dimethylethoxy)carbonyl]-3-fluoro-D-phenylalanine114873-11-972 % similar
3-Bromo-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine261360-77-471 % similar
(αR)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-naphthalenepropanoic acid76985-10-969 % similar
(βR)-3-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid269726-83-269 % similar
(βS)-3-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid270065-86-669 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds