chempirical

N-(2,4-Dinitrophenyl)-L-valine

C11H13N3O6CAS 1694-97-9283.24 g/mol

Open in Covalent MOL file
HNN+OO−N+OO−OHO
Carboxylic acidNitroSecondary amine

Properties

Molecular formula
C11H13N3O6
Molar mass
283.24 g/mol
Exact mass
283.0804 Da
logP
2.02Crippen estimate
Polar surface area
135.6 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1694-97-9
SMILES
CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
InChIKey
AYLCDVYHZOZQKM-JTQLQIEISA-N
InChI
InChI=1S/C11H13N3O6/c1-6(2)10(11(15)16)12-8-4-3-7(13(17)18)5-9(8)14(19)20/h3-6,10,12H,1-2H3,(H,15,16)/t10-/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • L-Valine, N-(2,4-dinitrophenyl)-
  • Valine, N-(2,4-dinitrophenyl)-, L-
  • N-2,4-DNP-L-valine
  • DNP-L-valine
  • L-DNP-Valine
  • NSC 89621

Work with N-(2,4-Dinitrophenyl)-L-valine

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

2,4-Dinitrophenyl-L-alanine1655-52-374 % similar N-(2,4-Dinitrophenyl)-L-serine1655-64-765 % similar N-(2,4-Dinitrophenyl)glycine1084-76-052 % similar Disperse yellow 1119-15-348 % similar 1-(2,4-Dinitrophenyl)-2-(propan-2-ylidene)hydrazine1567-89-148 % similar 2-(4-Nitrophenyl)propionic acid19910-33-948 % similar Dinitrophenyl-ε-aminocaproic acid10466-72-547 % similar 2-[(2,4-Dinitrophenyl)amino]ethanol1945-92-246 % similar

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

Elsewhere

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