Boc-3-chloro-D-phenylalanine

C14H18ClNO4CAS 80102-25-6299.75 g/mol

Open in Covalent MOL file
OONHClOHO
Aryl halideCarbamateCarboxylic acid

Properties

Molecular formula
C14H18ClNO4
Molar mass
299.75 g/mol
Exact mass
299.0924 Da
logP
2.86Crippen 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
80102-25-6
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC(=CC=C1)Cl)C(=O)O
InChIKey
RCZHBTHQISEPPP-LLVKDONJSA-N
InChI
InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1

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Names and synonyms

1 names
  • (R)-N-Boc-3-chlorophenylalanine

Work with Boc-3-chloro-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-3-chloro-L-phenylalanine114873-03-9Enantiomer

Similar compounds

Boc-3-methyl-L-phenylalanine114873-06-276 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid114873-14-276 % similar Boc-dl-phe-oh4530-18-175 % similar Boc-L-3-bromophenylalanine82278-73-775 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)-3-(3,4-dichlorophenyl)propanoic acid80741-39-573 % similar Boc-3-(2-naphthyl)-L-alanine58438-04-370 % similar Boc-(S)-3-amino-4-(3-chloro-phenyl)-butyric acid270596-39-969 % similar Boc-L-3-nitrophenylalanine131980-29-568 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-2-chloro-L-phenylalanine114873-02-8 4-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid284493-65-8 (S)-3-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid479064-90-9 Boc-(R)-3-Amino-3-(4-chlorophenyl)propionic acid479064-93-2 N-Boc-4-chloro-D-phenylalanine57292-44-1 Boc-L-4-chlorophe68090-88-0 (R)-2-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid80102-23-4

Elsewhere

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