3,5-Dinitro-L-tyrosine

C₉H₉N₃O₇CAS 17360-11-1271.18 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro Phenol Primary amine

Properties

Molecular formula: C₉H₉N₃O₇
Molar mass: 271.18 g/mol
Exact mass: 271.0440 Da
Melting point: 230–232 °C (decomposes)
logP: 0.16Crippen estimate
Polar surface area: 169.8 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

17360-11-1

SMILES

N[C@@H](Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(=O)O

InChIKey

SAZOSDSFLRXREA-YFKPBYRVSA-N

InChI

InChI=1S/C9H9N3O7/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19/h2-3,5,13H,1,10H2,(H,14,15)/t5-/m0/s1

Weigh it out

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

Names and synonyms

5 names

L-Tyrosine, 3,5-dinitro-
Tyrosine, 3,5-dinitro-, L-
NSC 80662
(2S)-2-Azaniumyl-3-(4-hydroxy-3,5-dinitrophenyl)propanoate
(S)-2-Amino-3-(4-hydroxy-3,5-dinitrophenyl)propanoicacid

Work with 3,5-Dinitro-L-tyrosine

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

Nitrotyrosine621-44-371 % similar 4-Nitro-dl-phenylalanine2922-40-964 % similar P-Nitro-D-phenylalanine56613-61-764 % similar P-Nitrophenylalanine949-99-564 % similar 3-Nitro-L-phenylalanine19883-74-062 % similar 3,5-Dibromo-L-tyrosine300-38-959 % similar 3′,5′-Diiodo-L-tyrosine300-39-059 % similar 3,5-Dinitro-4-hydroxyphenylacetic acid10463-37-357 % similar

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

Same formula

N-(2,4-Dinitrophenyl)-L-serine1655-64-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook