N-Methylphenylalanine

HCID 6951135CAS 2566-30-5

기본 정보

표준 SMILES: CN[C@@H](Cc1ccccc1)C(=O)O
InChIKey: SCIFESDRCALIIM-VIFPVBQESA-N
분자식: C10H13NO2
평균 분자량: 179.22 g/mol
단동위원소 질량: 179.09462866

개요

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.

이름 및 식별자

우선 이름: N-Methylphenylalanine
IUPAC: (2S)-2-(methylamino)-3-phenylpropanoic acid

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -1.5
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 164

안전 및 규제

유해성 정보

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.