Methyldopa EP Impurity A

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CAT#:1596-AR-D02218-02Size:100 Units

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CAS Number

6739-31-7

Synonyms

(S) -2-amino-3- (4-hydroxy-3-methoxyphenyl) -2-methylpropanoic acid; L-4-Hydroxy-3-methoxy-?-methylphenylalanine; Methyldopa EP Impurity A;3-Methoxy-?-methyl-L-tyrosine

Molecular Formula

C11H15NO4

Molecular Weight

225.25

API Name

Dopa

Chemical Information

3-Methoxy-alpha-methyl-L-tyrosine

3-methoxy-alpha-methyl-L-tyrosine is an L-tyrosine derivative in which the tyrosine skeleton is substituted with a methoxy group at C-3 of the phenyl ring and with a methyl group at the alpha carbon. It can also be regarded as a 3-O-methyl,alpha-methyl derivative of L-dopa. It is functionally related to an alpha-methyl-L-dopa.

CAS Number	6739-31-7
PubChem CID	94331
IUPAC Name	(2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid
Molecular Formula	C11H15NO4
Molecular Weight	225.24
XLogP	-2.2
Topological Polar Surface Area	92.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	258

SMILES

C[C@](CC1=CC(=C(C=C1)O)OC)(C(=O)O)N

InChI

InChI=1S/C11H15NO4/c1-11(12,10(14)15)6-7-3-4-8(13)9(5-7)16-2/h3-5,13H,6,12H2,1-2H3,(H,14,15)/t11-/m0/s1

InChIKey

BQHWFYPBSKGBMV-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 6739-31-7

CID: 94331

Formula: C11H15NO4

MW: 225.24

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	225.24
XLogP3	-2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	225.10010796
Monoisotopic Mass	225.10010796
Topological Polar Surface Area	92.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	258
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
RM-M052107-01	Methyldopa Impurity 7
RM-M052105-01	Methyldopa Impurity 5
RM-M052101-01	Methyldopa EP Impurity A
RM-M052110-01	Methyldopa Impurity 10
RM-M052108-01	Methyldopa Impurity 8
RM-M052109-01	Methyldopa Impurity 9
RM-M052106-01	Methyldopa Impurity 6
RM-M052103-01	Methyldopa EP Impurity C
RM-M052104-01	Methyldopa EP Impurity D
RM-M052102-01	Methyldopa EP Impurity B

Methyldopa EP Impurity A

Chemical Information

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