chempirical

3-Methyl-D-phenylalanine

C10H13NO2CAS 114926-39-5179.22 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
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
114926-39-5
SMILES
Cc1cccc(C[C@@H](N)C(=O)O)c1
InChIKey
JZRBSTONIYRNRI-SECBINFHSA-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-/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • D-Phenylalanine, 3-methyl-
  • D-3-Methylphenylalanine
  • (2R)-2-Amino-3-(3-methylphenyl)propanoic acid
  • (R)-2-Amino-3-(m-tolyl)propanoicacid

Work with 3-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

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-Methylphenylalanine114926-37-3 4-((2-Hydroxyethyl)(methyl)amino)benzaldehyde1201-91-8 Propham122-42-9 β-Aminobenzenebutanoic acid15099-85-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook