chempirical

N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-D-phenylalanine

C15H21NO4CAS 80102-27-8279.34 g/mol

Open in Covalent MOL file
NHOOOOH
Carboxylic acid

Properties

Molecular formula
C15H21NO4
Molar mass
279.34 g/mol
Exact mass
279.1471 Da
logP
2.72Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
80102-27-8
SMILES
Cc1ccc(C[C@@H](N=C(O)OC(C)(C)C)C(=O)O)cc1
InChIKey
JYRWNPUFECDJCX-GFCCVEGCSA-N
InChI
InChI=1S/C15H21NO4/c1-10-5-7-11(8-6-10)9-12(13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m1/s1

Weigh it out

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

Names and synonyms

2 names
  • D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-methyl-
  • (R)-2-[(tert-Butoxycarbonyl)amino]-3-(4-methylphenyl)propionic acid

Work with N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-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

Boc-L-tyrosine3978-80-180 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-978 % similar 4-Amino-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine164332-89-277 % similar N-(tert-Butoxycarbonyl)-D-4-chlorophenylalanine57292-44-177 % similar (2R)-2-(tert-Butoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid57292-45-277 % similar N-tert-Butoxycarbonyl-4-iodo-L-phenylalanine62129-44-677 % similar 4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine131724-45-375 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-(trifluoromethyl)-L-phenylalanine114873-07-373 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Boc-L-homophenylalanine100564-78-1 (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenebutanoic acid101555-61-7 N-[(1,1-Dimethylethoxy)carbonyl]-2-methyl-L-phenylalanine114873-05-1 Boc-3-methyl-L-phenylalanine114873-06-2 (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid114873-14-2 N,N-Bis(2-hydroxyethyl)-3-methylaniline diacetate21615-36-1 (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-methylbenzenepropanoic acid479064-96-5 (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-methylbenzenepropanoic acid479064-97-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook