2-Methyl-D-phenylalanine

CAT: 0127-OR14700-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR14700-01Size:250 mg

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CAS Number

80126-54-1

MDL Number

MFCD01860870

Purity

98%

Smiles

Cc1ccccc1C[C@@H](N)C(=O)O

Chemical Information

2-Methyl-D-phenylalanine

CAS Number	80126-54-1
PubChem CID	6951464
IUPAC Name	(2R)-2-amino-3-(2-methylphenyl)propanoic acid
Molecular Formula	C10H13NO2
Molecular Weight	179.22
XLogP	-1.2
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	182

SMILES

CC1=CC=CC=C1C[C@H](C(=O)O)N

InChI

InChI=1S/C10H13NO2/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1

InChIKey

NHBKDLSKDKUGSB-SECBINFHSA-N

Chemical Structure

2D Structure

CAS: 80126-54-1

CID: 6951464

Formula: C10H13NO2

MW: 179.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.22
XLogP3	-1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	179.094628657
Monoisotopic Mass	179.094628657
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	182
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
OR955432	D-Phenylalanine methyl ester
OR14704-01	4-Methyl-D-phenylalanine
OR14702-01	3-Methyl-D-phenylalanine
OR1042755-01	Fmoc-alpha-methyl-D-phenylalanine
OR1013087-01	D-Phenylalanine Methyl Ester Hydrochloride
OR960818-01	Fmoc-N-methyl-D-phenylalanine
OR14706-01	2-Nitro-D-phenylalanine
PC8358-01	2-Fluoro-D-phenylalanine
OR14694-01	2-Bromo-D-phenylalanine
OR14699-01	2-Methyl-L-phenylalanine

Catalog	Name
283863-01	2-Methyl-D-phenylalanine
469440-01	α-Methyl-D-phenylalanine
283807-01	A-Methyl-D-phenylalanine
abx185842-01	BOC-2-methyl-D-phenylalanine
277455-01	Fmoc-2-methyl-D-phenylalanine
433124-01	4-Methyl-D-phenylalanine
283865-01	3-Methyl-D-phenylalanine
265650-01	Boc-a-methyl-D-phenylalanine
443318-01	Boc-α-methyl-D-phenylalanine
238143-01	Fmoc-a-methyl-D-phenylalanine