chempirical

D-2-Nitrophenylalanine

C9H10N2O4CAS 169383-17-9210.19 g/mol

Open in Covalent MOL file
OHOH2NN+OO−
Carboxylic acidNitroPrimary amine

Properties

Molecular formula
C9H10N2O4
Molar mass
210.19 g/mol
Exact mass
210.0641 Da
logP
0.55Crippen estimate
Polar surface area
106.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
169383-17-9
SMILES
C1=CC=C(C(=C1)C[C@H](C(=O)O)N)[N+](=O)[O-]
InChIKey
SDZGVFSSLGTJAJ-SSDOTTSWSA-N
InChI
InChI=1S/C9H10N2O4/c10-7(9(12)13)5-6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m1/s1

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Names and synonyms

1 names
  • (R)-2-Amino-3-(2-nitrophenyl)propanoic acid

Work with D-2-Nitrophenylalanine

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.

L-2-Nitrophenylalanine19883-75-1Enantiomer

Similar compounds

P-Nitrophenylalanine949-99-564 % similar 3,5-Dinitro-L-tyrosine17360-11-161 % similar Nitrotyrosine621-44-360 % similar 4-Nitro-L-phenylalanine monohydrate207591-86-460 % similar (±)-O-Tyrosine2370-61-858 % similar (2R)-2-Amino-3-(2-bromophenyl)propanoic acid267225-27-458 % similar 2-Bromophenylalanine42538-40-958 % similar 2-Chloro-L-phenylalanine103616-89-357 % similar

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

Same formula

3-Amino-3-(4-nitrophenyl)propanoic Acid102308-62-3 N-(4-Methoxy-2-nitrophenyl)acetamide119-81-3 D-3-Nitrophenylalanine169530-97-6 3-Nitro-L-phenylalanine19883-74-0 4-Nitro-DL-phenylalanine2922-40-9 p-Nitro-D-phenylalanine56613-61-7 β-Amino-3-nitrobenzenepropanoic acid5678-47-7

Elsewhere

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