3-Hydroxy-L-tyrosine methyl ester

CAT: 0127-OR955473Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR955473Size:1 Each

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CAS Number

7101-51-1

MDL Number

MFCD00870911

Purity

96%

Smiles

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

Chemical Information

Melevodopa

Melevodopa is a tyrosine derivative.

CAS Number	7101-51-1
PubChem CID	23497
IUPAC Name	methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
Molecular Formula	C10H13NO4
Molecular Weight	211.21
XLogP	-0.2
Topological Polar Surface Area	92.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	221

SMILES

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

InChI

InChI=1S/C10H13NO4/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6/h2-3,5,7,12-13H,4,11H2,1H3/t7-/m0/s1

InChIKey

XBBDACCLCFWBSI-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 7101-51-1

CID: 23497

Formula: C10H13NO4

MW: 211.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.21
XLogP3	-0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	211.08445790
Monoisotopic Mass	211.08445790
Topological Polar Surface Area	92.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	221
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

Catalog	Name
OR1013696-01	L-Tyrosine Methyl Ester
OR61060-01	L-Tyrosine methyl ester hydrochloride
OR470401	O- (3-Pyridyl) -L-tyrosine Methyl Ester
OR1014521-01	O-Benzyl-L-Tyrosine Methyl Ester Hydrochloride
OR1034847-01	3-Pyridineacetic acid, a-hydroxy-, methyl ester
OR80782-01	L-Tyrosine ethyl ester
OR87980	N-Fmoc-3-methyl-l-tyrosine
OR913101	4-Hydroxy-3-propylbenzoic acid methyl ester
OR1091808-01	Pentanoic acid, 3-hydroxy-3-methyl-, ethyl ester
OR955657	3-Hydroxy-3-phenyl-propionic acid methyl ester

Catalog	Name
H056-25MG	3-Hydroxy-L-tyrosine methyl ester
426011-01	3-Hydroxy-α-methyl-tyrosine Methyl Ester
CS-O-46211	N-Boc-3-Hydroxy-L-Tyrosine methyl ester
TRC-H785010-10MG	3-Hydroxy-Alpha-methyl-tyrosine Methyl Ester
T126438-01	L-Tyrosine methyl ester
MBS5791881	L-Tyrosine, methyl ester
TRC-M945720-1G	3-Methoxy-O-methyl-L-tyrosine Methyl Ester
sc-235483	L-Tyrosine methyl ester hydrochloride
HY-41257-01	Boc-L-Tyrosine methyl ester
sc-229680	Z-L-Tyrosine methyl ester