N-(Pyrazinylcarbonyl)-L-phenylalanine

C₁₄H₁₃N₃O₃CAS 114457-94-2271.28 g/mol

Open in Covalent MOL file

Amide Carboxylic acid

Properties

Molecular formula: C₁₄H₁₃N₃O₃
Molar mass: 271.28 g/mol
Exact mass: 271.0957 Da
logP: 0.90Crippen estimate
Polar surface area: 92.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

114457-94-2

SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=NC=CN=C2

InChIKey

DWYZPDHMMZGQAP-NSHDSACASA-N

InChI

InChI=1S/C14H13N3O3/c18-13(12-9-15-6-7-16-12)17-11(14(19)20)8-10-4-2-1-3-5-10/h1-7,9,11H,8H2,(H,17,18)(H,19,20)/t11-/m0/s1

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Names and synonyms

1 names

(S)-3-Phenyl-2-[(pyrazin-2-ylcarbonyl)amino] propanoic acid

Work with N-(Pyrazinylcarbonyl)-L-phenylalanine

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

Boc-3-(3-pyridyl)-L-alanine117142-26-447 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(pyridin-3-yl)propanoic acid175453-07-347 % similar Fmoc-3-(4-pyridyl)-L-alanine169555-95-744 % similar Fmoc-D-4-pyridylalanine205528-30-944 % similar Z-Tyr(bzl)-oh16677-29-544 % similar (S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-fluorophenyl)propanoic acid17543-58-744 % similar Benzylmalonic acid616-75-143 % similar Boc-D-4,4'-biphenylalanine128779-47-542 % similar

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

Elsewhere

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