L-2-Nitrophenylalanine

C₉H₁₀N₂O₄CAS 19883-75-1210.19 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro Primary 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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

19883-75-1

SMILES

C1=CC=C(C(=C1)C[C@@H](C(=O)O)N)[N+](=O)[O-]

InChIKey

SDZGVFSSLGTJAJ-ZETCQYMHSA-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-/m0/s1

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Names and synonyms

1 names

(2S)-2-Amino-3-(2-nitrophenyl)propanoic acid

Work with L-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.

D-2-Nitrophenylalanine169383-17-9Enantiomer

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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