chempirical

Boc-L-2-methylphenylalanine

C15H21NO4CAS 114873-05-1279.34 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
Melting point
118–119 °C
logP
2.72Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
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. Search the SDS library

Identifiers

CAS number
114873-05-1
SMILES
Cc1ccccc1C[C@H](N=C(O)OC(C)(C)C)C(=O)O
InChIKey
PCGOCPOJLMLJAR-LBPRGKRZSA-N
InChI
InChI=1S/C15H21NO4/c1-10-7-5-6-8-11(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-/m0/s1

Weigh it out

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

Names and synonyms

4 names
  • N-[(1,1-Dimethylethoxy)carbonyl]-2-methyl-L-phenylalanine
  • L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-methyl-
  • (2S)-2-[(tert-Butoxycarbonyl)amino]-3-(2-methylphenyl)propionic acid
  • (S)-2-(tert-Butoxycarbonylamino)-3-o-tolylpropanoic acid

Work with Boc-L-2-methylphenylalanine

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-2-methyl-D-phenylalanine80102-29-0Enantiomer

Similar compounds

N-[(1,1-Dimethylethoxy)carbonyl]-2-fluoro-L-phenylalanine114873-00-674 % similar N-[(1,1-Dimethylethoxy)carbonyl]-2-fluoro-D-phenylalanine114873-10-874 % similar Boc-L-phenylalanine13734-34-471 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-971 % similar (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-methylbenzenebutanoic acid269398-80-366 % similar (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-methylbenzenebutanoic acid270062-90-366 % similar N-tert-Butoxycarbonyl-L-tryptophan13139-14-565 % similar tert-Butoxycarbonyl-D-tryptophan5241-64-565 % similar

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

Same formula

Boc-L-homophenylalanine100564-78-1 (3R)-3-(((tert-Butoxy)carbonyl)amino)-4-phenylbutanoic acid101555-61-7 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 N-Cbz-N-methyl-L-leucine33099-08-0 Boc-N-methyl-L-phenylalanine37553-65-4 (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-methylbenzenepropanoic acid479064-96-5

Elsewhere

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