chempirical

4-Methyl-L-phenylalanine

C10H13NO2CAS 1991-87-3179.22 g/mol

Open in Covalent MOL file
NH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C10H13NO2
Molar mass
179.22 g/mol
Exact mass
179.0946 Da
logP
0.95Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1991-87-3
SMILES
Cc1ccc(C[C@H](N)C(=O)O)cc1
InChIKey
DQLHSFUMICQIMB-VIFPVBQESA-N
InChI
InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • L-Phenylalanine, 4-methyl-
  • Alanine, 3-p-tolyl-, L-
  • p-Methyl-L-phenylalanine
  • L-4′-Methylphenylalanine
  • L-4-Methylphenylalanine
  • (S)-2-Amino-3-(p-tolyl)propanoic acid
  • (2S)-2-Amino-3-(4-methylphenyl)propanoic acid

Work with 4-Methyl-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

D-Tyrosine556-02-571 % similar Dl-tyrosine556-03-671 % similar Tyrosine60-18-471 % similar 4-Amino-dl-phenylalanine2922-41-069 % similar 4-Amino-L-phenylalanine943-80-669 % similar Phenylalanine63-91-268 % similar D-Phenylalanine673-06-368 % similar 4-Fluoro-L-phenylalanine1132-68-967 % similar

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

Same formula

Methyl N,N-dimethylanthranilate10072-05-6 Dl-homophenylalanine1012-05-1 Phenibut1078-21-3 Dl-α-methylphenylalanine1132-26-9 3-Methylphenylalanine114926-37-3 3-Methyl-D-phenylalanine114926-39-5 4-((2-Hydroxyethyl)(methyl)amino)benzaldehyde1201-91-8 Propham122-42-9

Elsewhere

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