2-Methyl-L-phenylalanine

C10H13NO2CAS 80126-53-0179.22 g/mol

Open in Covalent MOL file
H2NOOH
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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
80126-53-0
SMILES
Cc1ccccc1C[C@H](N)C(=O)O
InChIKey
NHBKDLSKDKUGSB-VIFPVBQESA-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-/m0/s1

Weigh it out

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

Names and synonyms

4 names
  • L-Phenylalanine, 2-methyl-
  • L-2′-Methylphenylalanine
  • L-2-Methylphenylalanine
  • (S)-2-Amino-3-o-tolylpropionic acid

Work with 2-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.

2-Methyl-D-phenylalanine80126-54-1Enantiomer Dl-2'-methylphenylalanine hydrochloride22888-51-3Stereo not defined

Similar compounds

(±)-O-Tyrosine2370-61-866 % similar (2R)-2-Amino-3-(2-bromophenyl)propanoic acid267225-27-466 % similar 2-Bromophenylalanine42538-40-966 % similar 2-Chloro-L-phenylalanine103616-89-364 % similar 2-Fluoro-L-phenylalanine19883-78-464 % similar DL-2-Fluorophenylalanine2629-55-264 % similar Dl-3-(1-naphthyl)alanine28095-56-964 % similar L-1-Naphthylalanine55516-54-664 % 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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