chempirical

Phenylalaninamide

C9H12N2OCAS 5241-58-7164.21 g/mol

Open in Covalent MOL file
NH2OH2N
Primary amine

Properties

Molecular formula
C9H12N2O
Molar mass
164.21 g/mol
Exact mass
164.0950 Da
Melting point
138–139 °C
logP
1.09Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
5241-58-7
SMILES
N=C(O)[C@@H](N)Cc1ccccc1
InChIKey
OBSIQMZKFXFYLV-QMMMGPOBSA-N
InChI
InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • Benzenepropanamide, α-amino-, (αS)-
  • Hydrocinnamamide, α-amino-, L-
  • Benzenepropanamide, α-amino-, (S)-
  • (αS)-α-Aminobenzenepropanamide
  • L-Phenylalaninamide
  • Phenylalanylamide
  • L-Phenylalanine amide
  • (S)-Phenylalaninamide
  • (S)-2-Amino-3-phenylpropionamide
  • (S)-2-Amino-3-phenylpropanamide
  • (2S)-2-Amino-3-phenylpropanamide

Work with Phenylalaninamide

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

Phenylalanine63-91-259 % similar D-Phenylalanine673-06-359 % similar L-Tryptophanamide hydrochloride5022-65-150 % similar D-Phenylglycine amide6485-67-250 % similar L-Phenylalanyl-L-phenylalanine2577-40-447 % similar Phenylalanine methyl ester2577-90-446 % similar O-Benzyl-L-tyrosine16652-64-545 % similar L-4-Benzoylphenylalanine104504-45-245 % similar

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

Same formula

Fenuron101-42-8 N-(4-Aminophenyl)-N-methylacetamide119-63-1 N-(3-Aminophenyl)propanamide22987-10-6

Elsewhere

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