N-Boc-N-methyl-D-phenylalanine

C15H21NO4CAS 85466-66-6279.34 g/mol

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OONOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C15H21NO4
Molar mass
279.34 g/mol
Exact mass
279.1471 Da
logP
2.55Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 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
85466-66-6
SMILES
CC(C)(C)OC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)O
InChIKey
AJGJINVEYVTDNH-GFCCVEGCSA-N
InChI
InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16(4)12(13(17)18)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(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-mephe-oh

Work with N-Boc-N-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-N-methyl-L-phenylalanine37553-65-4Enantiomer Boc-N-me-phe DCHA40163-88-0Salt, enantiomer Boc-D-N-me-phe DCHA102185-45-5Salt

Similar compounds

N-[(1,1-Dimethylethoxy)carbonyl]-N-methyl-O-(phenylmethyl)-L-tyrosine64263-81-683 % similar Boc-MeTyr-OH82038-34-480 % similar Boc-MeTyr(tBu)-OH66638-37-777 % similar Cbz-N-methyl-L-phenylalanine2899-07-272 % similar N-Boc-N-methyl-S-trityl-L-cysteine91292-54-569 % similar Boc-N-me-ser-oh101772-29-664 % similar Fmoc-N-methyl-D-phenylalanine138775-05-062 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-phenylpropanoic acid77128-73-562 % 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-L-2-methylphenylalanine114873-05-1 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 N-Cbz-N-methyl-L-leucine33099-08-0

Elsewhere

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