(2S)-3-(2-Bromophenyl)-2-(((tert-butoxy)carbonyl)amino)propanoic acid

C₁₄H₁₈BrNO₄CAS 261165-02-0344.21 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Carboxylic acid

Properties

Molecular formula: C₁₄H₁₈BrNO₄
Molar mass: 344.21 g/mol
Exact mass: 343.0419 Da
logP: 2.97Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

261165-02-0

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1Br)C(=O)O

InChIKey

XDJSTMCSOXSTGZ-NSHDSACASA-N

InChI

InChI=1S/C14H18BrNO4/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

(S)-N-Boc-2-bromophenylalanine

Work with (2S)-3-(2-Bromophenyl)-2-(((tert-butoxy)carbonyl)amino)propanoic acid

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-2-chloro-L-phenylalanine114873-02-874 % similar Boc-L-2-trifluoromethylphe167993-21-771 % similar Boc-L-2-cyanophenylalanine216312-53-771 % similar Boc-D-2-cyanophenylalanine261380-28-371 % similar Boc-D-4,4'-biphenylalanine128779-47-569 % similar Boc-L-4,4'-biphenylalanine147923-08-869 % similar Boc-L-2-nitrophenylalanine185146-84-367 % similar Boc-D-3-benzothienylalanine111082-76-965 % similar

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

Same formula

(βS)-4-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid261165-06-4 3-Bromo-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine261360-77-4

Elsewhere

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