L-Norvaline

HCID 65098CAS 6600-40-4

基本情報

標準SMILES: CCC[C@H](N)C(=O)O
InChIKey: SNDPXSYFESPGGJ-BYPYZUCNSA-N
分子式: C5H11NO2
平均分子量: 117.15 g/mol
単同位体質量: 117.07897859

概要

L-2-aminopentanoic acid is a 2-aminopentanoic acid that has S-configuration. It has a role as a hypoglycemic agent, a neuroprotective agent and a bacterial metabolite. It is an enantiomer of a D-2-aminopentanoic acid. It is a tautomer of a L-2-aminopentanoic acid zwitterion.

名称と識別子

優先名称: L-Norvaline
IUPAC: (2S)-2-aminopentanoic acid

名称と別名

L-norvalinenorvaline6600-40-4(S)-2-Aminopentanoic acid(2S)-2-aminopentanoic acidL-2-Aminovaleric acidL-2-aminopentanoic acidA70UKS48FECHEBI:18314DTXSID701018015NSC-203786alpha-Aminovaleric acid

名称をさらに表示

RefChem:854766(2S)-2-azaniumylpentanoateDTXCID801476214229-543-3h-nva-ohL-2-aminopentanoate(S)-2-Aminovaleric acidMFCD00064421

データベース識別子

CAS: 6600-40-4、760-78-1
PubChem CID: 65098
DTXSID: DTXSID701018015
ChEMBL: CHEMBL55612
ChEBI: CHEBI:18314
UNII: A70UKS48FE
EC Number: 229-543-3
Nikkaji: J9.213D

物性

構造計算による物性

XLogP: -2.1
極性表面積: 63.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 82.5

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]

CosmeticsAntistatic

Collision Cross Section · 2 件

142 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

133 Å² [M+Na]+

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 75% (6 of 8) of all reports.

Warning

H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.