chempirical

3-Methylphenylalanine

C10H13NO2CAS 114926-37-3179.22 g/mol

Open in Covalent MOL file
OOHNH2
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

Identifiers

CAS number
114926-37-3
SMILES
CC1=CC(=CC=C1)C[C@@H](C(=O)O)N
InChIKey
JZRBSTONIYRNRI-VIFPVBQESA-N
InChI
InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1

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Names and synonyms

1 names
  • 3-Methylphenyl-L-alanine

Work with 3-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

Phenylalanine63-91-269 % similar D-Phenylalanine673-06-369 % similar L-M-Tyrosine587-33-769 % similar Dl-M-tyrosine775-06-469 % similar 4-Methyl-L-phenylalanine1991-87-368 % similar 3-Fluoro-D-phenylalanine110117-84-568 % similar 3-Fluoro-L-phenylalanine19883-77-368 % similar 3-Fluorophenylalanine2629-54-168 % 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-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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