α-Methyl-L-phenylalanine

C₁₀H₁₃NO₂CAS 23239-35-2179.22 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₀H₁₃NO₂
Molar mass: 179.22 g/mol
Exact mass: 179.0946 Da
Melting point: 278–280 °C
logP: 1.03Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

23239-35-2

SMILES

C[C@](N)(Cc1ccccc1)C(=O)O

InChIKey

HYOWVAAEQCNGLE-JTQLQIEISA-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)/t10-/m0/s1

Weigh it out

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

Names and synonyms

8 names

L-Phenylalanine, α-methyl-
Alanine, 2-methyl-3-phenyl-, L-
(S)-2-Methyl-3-phenylalanine
(S)-α-Methylphenylalanine
L-α-Methylphenylalanine
(S)-2-Methylphenylalanine
(2S)-2-Amino-2-methyl-3-phenylpropanoic acid
(S)-2-Amino-2-methyl-3-phenylpropanoicacid

Work with α-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

α-Methyl-D-phenylalanine17350-84-4100 % 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 (-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate41372-08-160 % 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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