chempirical

2-Methyl-D-phenylalanine

C10H13NO2CAS 80126-54-1179.22 g/mol

Open in Covalent MOL file
H2NOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C10H13NO2
Molar mass
179.22 g/mol
Exact mass
179.0946 Da
Melting point
259–260 °C (decomposes)
logP
0.95Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
80126-54-1
SMILES
Cc1ccccc1C[C@@H](N)C(=O)O
InChIKey
NHBKDLSKDKUGSB-SECBINFHSA-N
InChI
InChI=1S/C10H13NO2/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1

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Names and synonyms

5 names
  • D-Phenylalanine, 2-methyl-
  • D-2′-Methylphenylalanine
  • D-2-Methylphenylalanine
  • (R)-2-Amino-3-o-tolylpropionic acid
  • (R)-2-Amino-3-(o-tolyl)propanoicacid

Work with 2-Methyl-D-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

2-Methyl-L-phenylalanine80126-53-0100 % similar (±)-O-Tyrosine2370-61-866 % similar 2-Chloro-L-phenylalanine103616-89-364 % similar 2-Fluoro-L-phenylalanine19883-78-464 % similar Dl-2-fluorophenylalanine2629-55-264 % similar 2-Cyano-D-phenylalanine263396-41-463 % similar Phenylalanine63-91-259 % similar D-Phenylalanine673-06-359 % 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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