Alanylphenylalanine

C₁₂H₁₆N₂O₃CAS 1999-45-7236.27 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₂H₁₆N₂O₃
Molar mass: 236.27 g/mol
Exact mass: 236.1161 Da
logP: 0.99Crippen estimate
Polar surface area: 95.9 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 5

Identifiers

CAS number

1999-45-7

SMILES

CC(N)C(O)=NC(Cc1ccccc1)C(=O)O

InChIKey

OMNVYXHOSHNURL-UHFFFAOYSA-N

InChI

InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)

Weigh it out

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

Names and synonyms

8 names

Phenylalanine, alanyl-
Alanine, N-DL-alanyl-3-phenyl-, DL-
Alanine, N-DL-alanyl-3-phenyl-
DL-Phenylalanine, N-DL-alanyl-
DL-Alanyl-DL-phenylalanine
DL-ala-DL-phe
NSC 118375
2-(2-Aminopropanamido)-3-phenylpropanoic acid

Work with Alanylphenylalanine

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

L-Alanyl-L-tyrosine3061-88-979 % similar L-Phenylalanyl-L-phenylalanine2577-40-472 % similar L-Aspartyl-L-phenylalanine13433-09-565 % similar Glycylphenylalanine3321-03-764 % similar Glycylphenylalanine721-66-464 % similar L-Alanyl-L-tryptophan16305-75-263 % similar Nateglinide105816-04-463 % similar (-)-N-Acetylphenylalanine10172-89-161 % similar

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

Same formula

Carbetamide16118-49-3 L-Alanyl-L-phenylalanine3061-90-3 L-Phenylalanyl-L-alanine3918-87-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook