(S)-2-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid

C₁₁H₁₅NO₄CAS 55-59-4225.24 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₁₁H₁₅NO₄
Molar mass: 225.24 g/mol
Exact mass: 225.1001 Da
logP: 0.66Crippen estimate
Polar surface area: 81.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

55-59-4

SMILES

COC1=C(C=C(C=C1)CC(C(=O)O)N)OC

InChIKey

VWTFNYVAFGYEKI-UHFFFAOYSA-N

InChI

InChI=1S/C11H15NO4/c1-15-9-4-3-7(6-10(9)16-2)5-8(12)11(13)14/h3-4,6,8H,5,12H2,1-2H3,(H,13,14)

Weigh it out

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

Names and synonyms

1 names

3,4-Dimethoxyphenylalanine, DL-

Work with (S)-2-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid

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.

3-Methoxy-O-methyl-L-tyrosine32161-30-1Defined stereoisomer

Similar compounds

3-O-Methyldopa7636-26-279 % similar O-Methyl-D-tyrosine39878-65-468 % similar O-Methyl-L-tyrosine6230-11-168 % similar 3-Methoxy-L-phenylalanine33879-32-266 % similar 3,4-Difluoro-L-phenylalanine31105-90-560 % similar Dl-3,4-difluorophenylalanine32133-36-160 % similar D-Dopa5796-17-858 % similar DOPA59-92-758 % similar

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

Same formula

3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid34840-85-2 3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid34841-09-3

Elsewhere

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