L-P-Boronophenylalanine

C₉H₁₂BNO₄CAS 76410-58-7209.01 g/mol

Open in Covalent MOL file

Boronic acid Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₂BNO₄
Molar mass: 209.01 g/mol
Exact mass: 209.0859 Da
Melting point: 285–293 °C (decomposes)
logP: -1.68Crippen estimate
Polar surface area: 103.8 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

76410-58-7

SMILES

N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)O

InChIKey

NFIVJOSXJDORSP-QMMMGPOBSA-N

InChI

InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

L-Phenylalanine, 4-borono-
4-Borono-L-phenylalanine
L-BPA
4-(Dihydroxyboryl)-L-phenylalanine
4-Dihydroxyborylphenylalanine

Work with L-P-Boronophenylalanine

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

D-Tyrosine556-02-569 % similar Dl-tyrosine556-03-669 % similar Tyrosine60-18-469 % similar 4-Amino-dl-phenylalanine2922-41-067 % similar 4-Amino-L-phenylalanine943-80-667 % similar Phenylalanine63-91-266 % similar D-Phenylalanine673-06-366 % similar 4-Fluoro-L-phenylalanine1132-68-965 % similar

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

Same formula

4-Borono-D-phenylalanine B10 enriched111821-49-9 P-Boronophenylalanine90580-64-6

Elsewhere

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