α-Methyl-L-phenylalanine

C10H13NO2CAS 23239-35-2179.22 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
278–280 °C
logP
1.03Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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

9 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
  • L-Alpha-methylphenylalanine

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

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.

Alpha-Methyl-D-phenylalanine17350-84-4Enantiomer DL-α-Methylphenylalanine1132-26-9Stereo not defined

Similar compounds

Alpha-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 Alpha-methyl-L-tryptophan16709-25-458 % 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

Elsewhere

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