(-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate
Properties
- Molecular formula
- C10H15NO5
- Molar mass
- 229.23 g/mol
- Exact mass
- 229.0950 Da
- logP
- -0.38Crippen estimate
- Polar surface area
- 135.3 Ų
- H-bond donors / acceptors
- 4 / 4
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H302 Harmful if swallowed86.4% of notifiers
- H315 Causes skin irritation86.4% of notifiers
- H319 Causes serious eye irritation86.4% of notifiers
- H335 May cause respiratory irritation86.4% of notifiers
Aggregated from 22 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
41372-08-1SMILES
C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O.OInChIKey
XDJUBZFLFDODNF-PPHPATTJSA-NInChI
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./s1Weigh it out
Type any one amount. The others follow from the molar mass.
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
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.
Similar compounds
Carbidopa monohydrate38821-49-768 % similar
Alpha-Methyl-p-tyrosine658-48-063 % similar
Metyrosine672-87-763 % similar
Carbidopa28860-95-962 % similar
DL-α-Methylphenylalanine1132-26-960 % similar
Alpha-Methyl-D-phenylalanine17350-84-460 % similar
α-Methyl-L-phenylalanine23239-35-260 % similar
2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid10128-06-058 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.