chempirical

Methyl 4-nitro-L-phenylalaninate hydrochloride

C10H13ClN2O4CAS 17193-40-7260.67 g/mol

Open in Covalent MOL file
OOH2NN+OO−HCl
EsterNitroPrimary amine

Properties

Molecular formula
C10H13ClN2O4
Molar mass
260.67 g/mol
Exact mass
260.0564 Da
logP
1.06Crippen estimate
Polar surface area
95.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
17193-40-7
SMILES
COC(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1.Cl
InChIKey
BTHMRXRBXYHLRA-FVGYRXGTSA-N
InChI
InChI=1S/C10H12N2O4.ClH/c1-16-10(13)9(11)6-7-2-4-8(5-3-7)12(14)15;/h2-5,9H,6,11H2,1H3;1H/t9-;/m0./s1

Weigh it out

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

Names and synonyms

7 names
  • L-Phenylalanine, 4-nitro-, methyl ester, hydrochloride (1:1)
  • Alanine, 3-(p-nitrophenyl)-, methyl ester, monohydrochloride, L-
  • L-Phenylalanine, 4-nitro-, methyl ester, monohydrochloride
  • p-Nitrophenylalanine methyl ester hydrochloride
  • (S)-1-Methoxycarbonyl-2-(4-nitrophenyl)ethanaminium chloride
  • (S)-2-Amino-3-(4-nitrophenyl)propionic acid methyl ester hydrochloride
  • Methyl (S)-2-amino-3-(4-nitrophenyl)propanoate hydrochloride

Work with Methyl 4-nitro-L-phenylalaninate hydrochloride

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

4-Nitro-L-phenylalanine ethyl ester hydrochloride58816-66-375 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-664 % similar (±)-Phenylalanine methyl ester hydrochloride5619-07-864 % similar Methyl L-phenylalaninate hydrochloride7524-50-764 % similar DL-(p-Chlorophenyl)alanine methyl ester hydrochloride14173-40-164 % similar Methyl L-tyrosinate hydrochloride3417-91-264 % similar Methyl D-tyrosinate hydrochloride3728-20-964 % similar Methyl (S)-2-amino-3-(4-tert-butoxyphenyl)propanoate hydrochloride51482-39-459 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook