2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid

C₁₂H₁₇NO₄CAS 10128-06-0239.27 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₁₂H₁₇NO₄
Molar mass: 239.27 g/mol
Exact mass: 239.1158 Da
logP: 1.05Crippen estimate
Polar surface area: 81.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5

Identifiers

CAS number

10128-06-0

SMILES

CC(CC1=CC(=C(C=C1)OC)OC)(C(=O)O)N

InChIKey

QCCQWLWXLUTSAK-UHFFFAOYSA-N

InChI

InChI=1S/C12H17NO4/c1-12(13,11(14)15)7-8-4-5-9(16-2)10(6-8)17-3/h4-6H,7,13H2,1-3H3,(H,14,15)

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Names and synonyms

1 names

(2S)-2-Amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid

Work with 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic 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

Similar compounds

(αS)-α-Hydrazinyl-3,4-dimethoxy-α-methylbenzenepropanoic acid28860-96-068 % similar (±)-Methyldopa55-40-362 % similar (±)-Methyldopa555-29-362 % similar Methyldopa555-30-662 % similar N-(Aminocarbonyl)-3-methoxy-O,α-dimethyl-L-tyrosine28861-00-961 % similar Dl-α-methylphenylalanine1132-26-960 % similar α-Methyl-D-phenylalanine17350-84-460 % similar α-Methyl-L-phenylalanine23239-35-260 % similar

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

Same formula

2,4-Dimethyl-3,5-dicarbethoxypyrrole2436-79-5

Elsewhere

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