(-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate

C₁₀H₁₅NO₅CAS 41372-08-1229.23 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Primary Amine

Properties

Molecular formula: C₁₀H₁₅NO₅
Molar mass: 229.23 g/mol
Exact mass: 229.0950 Da
logP: -0.38Crippen estimate
Polar surface area: 135.3 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 3

Identifiers

CAS number

41372-08-1

SMILES

C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O.O

InChIKey

XDJUBZFLFDODNF-PPHPATTJSA-N

InChI

InChI=1S/C10H13NO4.H2O/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;/h2-4,12-13H,5,11H2,1H3,(H,14,15);1H2/t10-;/m0./s1

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Names and synonyms

1 names

L-Tyrosine, 3-hydroxy-α-methyl-, hydrate (2:3)

Work with (-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate

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

Same formula

1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate53100-44-0 1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate84348-37-8

Elsewhere

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