L-P-Boronophenylalanine

C9H12BNO4CAS 76410-58-7209.01 g/mol

Open in Covalent MOL file
H2NBOHOHOOH
Boronic acidCarboxylic acidPrimary 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 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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.

4-Borono-D-phenylalanine B10 enriched111821-49-9Enantiomer P-Boronophenylalanine90580-64-6Stereo not defined

Similar compounds

D-Tyrosine556-02-569 % similar DL-Tyrosine556-03-669 % similar Tyrosine60-18-469 % similar p-Amino-DL-phenylalanine hydrate2922-41-067 % similar 4-Amino-L-phenylalanine943-80-667 % similar DL-Phenylalanine150-30-166 % similar Phenylalanine63-91-266 % similar D-Phenylalanine673-06-366 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook