N-Methylphenylalanine

HCID 6951135CAS 2566-30-5

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Grundinformationen

Standard-SMILES: CN[C@@H](Cc1ccccc1)C(=O)O
InChIKey: SCIFESDRCALIIM-VIFPVBQESA-N
Summenformel: C10H13NO2
Durchschnittliche Molmasse: 179,22 g/mol
Monoisotopische Masse: 179,09462866

Überblick

N-methyl-L-phenylalanine is a phenylalanine derivative consisting of L-phenylalanine having a methyl substuent attached to the alpha-amino function. It is a N-methyl-L-alpha-amino acid and a L-phenylalanine derivative. It is a tautomer of a N-methyl-L-phenylalanine zwitterion.

Namen und Bezeichner

Bevorzugter Name: N-Methylphenylalanine
IUPAC: (2S)-2-(methylamino)-3-phenylpropanoic acid

Namen und Synonyme

N-MethylphenylalanineL-Phenylalanine, N-methyl-X4UR82KST1(S)-2-Methylamino-3-phenylpropionic acidRefChem:830762N-Methyl-L-phenylalanine2566-30-5(S)-2-(Methylamino)-3-phenylpropanoic acidN-Me-Phe-OH(2S)-2-(methylamino)-3-phenylpropanoic acidN-Me-PheMFCD00037757

Weitere Namen anzeigen

N-Me-L-PheH-MePhe-OHmethyl-l-phenylalanineN-Me-L-Phe-OHUNII-X4UR82KST1(S)-2-(N-methylamino)-3-phenylpropionic acidN-Methyl-1-L-phenylalanineMePhe

Datenbank-Bezeichner

CAS: 2566-30-5
PubChem CID: 6951135
DTXSID: DTXSID80426229
ChEMBL: CHEMBL1234265
ChEBI: CHEBI:43980
UNII: X4UR82KST1
EC Number: 876-079-8
Nikkaji: J594.824J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,5
Polarare Oberfläche (TPSA): 49,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 164

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory InformationN-Methyl-L-phenylaline: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.