chempirical

N-(Aminocarbonyl)-3-methoxy-O,α-dimethyl-L-tyrosine

C13H18N2O5CAS 28861-00-9282.30 g/mol

Open in Covalent MOL file
OHNH2NOOOHO
Carboxylic acidEther

Properties

Molecular formula
C13H18N2O5
Molar mass
282.30 g/mol
Exact mass
282.1216 Da
logP
1.17Crippen estimate
Polar surface area
111.9 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
28861-00-9
SMILES
COc1ccc(C[C@](C)(NC(=N)O)C(=O)O)cc1OC
InChIKey
ZAWWRCDFZPMIQT-ZDUSSCGKSA-N
InChI
InChI=1S/C13H18N2O5/c1-13(11(16)17,15-12(14)18)7-8-4-5-9(19-2)10(6-8)20-3/h4-6H,7H2,1-3H3,(H,16,17)(H3,14,15,18)/t13-/m0/s1

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Names and synonyms

5 names
  • L-Tyrosine, N-(aminocarbonyl)-3-methoxy-O,α-dimethyl-
  • Alanine, N-carbamoyl-3-(3,4-dimethoxyphenyl)-2-methyl-, L-
  • L-4-(3,4-Dimethoxybenzyl)-4-methylhydantoic acid
  • L-α-(3,4-Dimethoxybenzyl)-α-methylhydantoic acid
  • L-α-Methyl-α-ureido-β-(3,4-dimethoxyphenyl)propionic acid

Work with N-(Aminocarbonyl)-3-methoxy-O,α-dimethyl-L-tyrosine

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

(αS)-α-Hydrazinyl-3,4-dimethoxy-α-methylbenzenepropanoic acid28860-96-070 % similar 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid10128-06-061 % similar Carbidopa28860-95-944 % similar 3-(3,4-Dimethoxyphenyl)propionic acid2107-70-243 % similar Carbidopa monohydrate38821-49-742 % similar (3,4-Dimethoxyphenyl)acetone776-99-840 % similar 3-Methoxy-O-methyl-L-tyrosine32161-30-140 % similar Veratrole alcohol93-03-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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