α-Methyldopa methyl ester

CAT: 0926-FM30422-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FM30422-04Size:25 mg

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CAS Number

18181-08-3

MDL Number

MFCD01743254

Smiles

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

Molecular Formula

C11H15NO4

Molecular Weight

225.24 g/mol

Controlled

Chemical Information

Alpha-methyl-melevodopa

CAS Number	18181-08-3
PubChem CID	28934
IUPAC Name	methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
Molecular Formula	C11H15NO4
Molecular Weight	225.24
XLogP	0.7
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)O)(C(=O)OC)N

InChI

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

InChIKey

MKFJJXIMFTXSEM-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 18181-08-3

CID: 28934

Formula: C11H15NO4

MW: 225.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.24
XLogP3	0.7
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

Catalog	Name
CDA40203-01	Methyl acrylamidoglycolate methyl ester
AAA88439	L- (-) -Alpha-methyldopa hydrochloride
LYA95409-01	3-o-Methyldopa d3
ZWB53711	Amineptine methyl ester
PEA52646-01	Imazamox methyl ester
NEA80571-01	Olopatadine methyl ester
AM171961-01	Monensin methyl ester
IT28366-01	Trandolaprilat methyl ester
FA17221-01	Adapalene methyl ester
FS65943-01	Steviol methyl ester

Catalog	Name
469450-01	α-Methyldopa Methyl Ester
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CS-O-06030	Cetirizine Methyl Ester
CS-O-07098	Diclofenac Methyl Ester
HY-Z4185-01	Rebamipide methyl ester
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HY-131142-01	Monensin methyl ester