Boc-2-methyl-D-phenylalanine

C15H21NO4CAS 80102-29-0279.34 g/mol

Open in Covalent MOL file
OOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C15H21NO4
Molar mass
279.34 g/mol
Exact mass
279.1471 Da
logP
2.52Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin 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
80102-29-0
SMILES
CC1=CC=CC=C1C[C@H](C(=O)O)NC(=O)OC(C)(C)C
InChIKey
PCGOCPOJLMLJAR-GFCCVEGCSA-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-/m1/s1

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

Names and synonyms

1 names
  • Boc-D-2-methylphe

Work with Boc-2-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

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-L-2-methylphenylalanine114873-05-1Enantiomer

Similar compounds

(2S)-3-(2-Bromophenyl)-2-(((tert-butoxy)carbonyl)amino)propanoic acid261165-02-076 % similar Boc-2-chloro-L-phenylalanine114873-02-874 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid80102-23-474 % similar Boc-L-2-trifluoromethylphe167993-21-771 % similar Boc-L-2-cyanophenylalanine216312-53-771 % similar Boc-D-2-cyanophenylalanine261380-28-371 % similar Boc-dl-phe-oh4530-18-171 % similar Boc-D-4,4'-biphenylalanine128779-47-569 % 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

Elsewhere

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