Boc-L-4-chlorophe

C14H18ClNO4CAS 68090-88-0299.75 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
Sin 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
68090-88-0
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O
InChIKey
BETBOAZCLSJOBQ-NSHDSACASA-N
InChI
InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1

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Names and synonyms

1 name
  • N-(tert-Butoxycarbonyl)-4-chloro-L-phenylalanine

Work with Boc-L-4-chlorophe

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.

N-Boc-4-chloro-D-phenylalanine57292-44-1Enantiomer

Similar compounds

Boc-L-tyrosine3978-80-178 % similar Boc-D-tyr-oh70642-86-378 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-D-phenylalanine80102-27-877 % similar Boc-L-phenylalanine13734-34-476 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-976 % similar Boc-DL-phe-oh4530-18-176 % similar 4-Amino-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine164332-89-275 % similar Boc-4-iodo-D-phenylalanine176199-35-275 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-2-chloro-L-phenylalanine114873-02-8 Boc-3-chloro-L-phenylalanine114873-03-9 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 (R)-2-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid80102-23-4 Boc-3-chloro-D-phenylalanine80102-25-6

Elsewhere

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