Basic information
- CAS
81660-38-0- Standard SMILES
CC(OC(=O)C(C)(C)C)OC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1- InChIKey
IFDYIWPAJKYNTO-LKDXBUKQSA-N- Molecular formula
- C17H25NO6
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.16818752
Overview
prodrug of methyldopa; RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- 3-Hydroxy-alpha-methyl-L-tyrosine 1-(2,2-dimethyl-1-oxopropoxy)ethyl ester
- IUPAC
- 1-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoyl]oxyethyl 2,2-dimethylpropanoate
- English name
- 1-(2,2-dimethylpropionyloxy)ethyl 3-hydroxy-alpha-methyl-L-tyrosinate
- Molecular formula
- C17H25NO6
- Molecular weight
- 339.3835
Names & synonyms
Methyldopa pivaloyloxyethyl ester81660-38-0WBI8SO7K59DTXSID301002119L-Tyrosine, 3-hydroxy-alpha-methyl-, 1-(2,2-dimethyl-1-oxopropoxy)ethyl esterPOE methyldopaRefChem:911385pivaloyloxyethyl methyldopa esterDTXCID7014290583-Hydroxy-alpha-methyl-L-tyrosine 1-(2,2-dimethyl-1-oxopropoxy)ethyl ester279-793-2EINECS 279-793-2
Show more names
α-methyldopa pivaloylethyl esterα-pivaloyloxyethyl (S)-3-(3,4-dihydroxyphenyl)-2-methylalaninate1-(2,2-dimethylpropionyloxy)ethyl 3-hydroxy-α-methyl-L-tyrosinate3-Hydroxy-α-methyl-L-tyrosine 1-(2,2-dimethyl-1-oxopropoxy)ethyl ester
UNII-WBI8SO7K59SCHEMBL10416847IFDYIWPAJKYNTO-LKDXBUKQSA-N1-(2,2-Dimethylpropionyloxy)ethyl 3-hydroxy-alpha-methyl-L-tyrosinateNS000602511-[(2,2-dimethylpropanoyl)oxy]ethyl 3-hydroxy-alpha-methyl-L-tyrosinate3-Hydroxy-I+/--methyl-L-tyrosine 1-(2,2-dimethyl-1-oxopropoxy)ethyl esteralpha-Pivaloyloxyethyl (S)-3-(3,4-dihydroxyphenyl)-2-methylalaninate
Database identifiers
- CAS
81660-38-0- PubChem CID
- 88126
- DTXSID
DTXSID301002119- UNII
- WBI8SO7K59
- EC Number
- 279-793-2
- Nikkaji
- J296.102D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- FDA UNII
- 8 SO7K59 · WBI8SO7K59
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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