Alanylphenylalanine

C12H16N2O3CAS 1999-45-7236.27 g/mol

Open in Covalent MOL file
NH2ONHOHO
Carboxylic acidPrimary 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 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
5

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
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

9 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
  • N-DL-Alanyl-DL-3-phenylalanine

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

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-Alanyl-L-phenylalanine3061-90-3Defined stereoisomer

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 Ala-trp16305-75-263 % 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-Phenylalanyl-L-alanine3918-87-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook