chempirical

Dl-α-methylphenylalanine

C10H13NO2CAS 1132-26-9179.22 g/mol

Open in Covalent MOL file
NH2OHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C10H13NO2
Molar mass
179.22 g/mol
Exact mass
179.0946 Da
Melting point
293–294 °C
logP
1.03Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
1132-26-9
SMILES
CC(N)(Cc1ccccc1)C(=O)O
InChIKey
HYOWVAAEQCNGLE-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)

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

Names and synonyms

9 names
  • Phenylalanine, α-methyl-
  • Alanine, 2-methyl-3-phenyl-, DL-
  • DL-Phenylalanine, α-methyl-
  • α-Methylphenylalanine
  • α-Methyl-DL-phenylalanine
  • 2-Methyl-3-phenylalanine
  • NSC 11202
  • 2-Amino-2-methyl-3-phenylpropanoic acid
  • 2-Amino-2-methyl-3-phenylpropionic acid

Work with Dl-α-methylphenylalanine

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

α-Methyl-D-phenylalanine17350-84-4100 % similar α-Methyl-L-phenylalanine23239-35-2100 % similar α-Methyl-P-tyrosine658-48-074 % similar Metyrosine672-87-774 % similar (±)-Methyldopa55-40-364 % similar (±)-Methyldopa555-29-364 % similar Methyldopa555-30-664 % similar 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid10128-06-060 % 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 3-Methylphenylalanine114926-37-3 3-Methyl-D-phenylalanine114926-39-5 4-((2-Hydroxyethyl)(methyl)amino)benzaldehyde1201-91-8 Propham122-42-9 β-Aminobenzenebutanoic acid15099-85-1

Elsewhere

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