Boc-2-chloro-L-phenylalanine

C₁₄H₁₈ClNO₄CAS 114873-02-8299.75 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Carboxylic 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

114873-02-8

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1Cl)C(=O)O

InChIKey

TUUQJNHCVFJMPU-NSHDSACASA-N

InChI

InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1

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Names and synonyms

1 names

Boc-L-2-chlorophe

Work with Boc-2-chloro-L-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

Similar compounds

Boc-orn(2-cl-Z)-oh118554-00-068 % similar Boc-D-4,4'-biphenylalanine128779-47-567 % similar Boc-3-methyl-L-phenylalanine114873-06-265 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid114873-14-265 % similar Boc-D-3-benzothienylalanine111082-76-964 % similar Boc-D-bpa-oh117666-94-164 % similar Boc-L-homophenylalanine100564-78-162 % similar Boc-3-(3-pyridyl)-L-alanine117142-26-459 % similar

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

Same formula

3-Chloro-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine114873-03-9 4-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid284493-65-8 (βR)-4-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid479064-93-2 N-(tert-Butoxycarbonyl)-D-4-chlorophenylalanine57292-44-1

Elsewhere

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