2-((Tert-butoxycarbonyl)amino)-3-methylpentanoic acid

HCID 433623

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 13139-16-7
標準SMILES: CCC(C)C(NC(=O)OC(C)(C)C)C(=O)O
InChIKey: QJCNLJWUIOIMMF-UHFFFAOYSA-N
分子式: C11H21NO4
平均分子量: 231.29 g/mol
単同位体質量: 231.14705815

名称と識別子

優先名称: 2-((Tert-butoxycarbonyl)amino)-3-methylpentanoic acid
IUPAC: 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

名称と別名

2-((tert-Butoxycarbonyl)amino)-3-methylpentanoic acidRefChem:450137949-640-02390474-63-0Boc-DL-isoleucineBOC-L-allo-IsoleucineMFCD016057212-{[(tert-butoxy)carbonyl]amino}-3-methylpentanoic acid2-(BOC-AMINO)-3-METHYLPENTANOIC ACID2-(TERT-BUTOXYCARBONYLAMINO)-3-METHYLPENTANOIC ACIDtert-Butoxycarbonylisoleucine97011-05-7

名称をさらに表示

tert-Butyloxycarbonylisoleucinetert-Butyloxycarbonyl-L-isoleucineN-tert-Butoxycarbonyl-L-isoleucine(2R,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acidN-(tert-Butyloxycarbonyl)-L-isoleucineBoc-Ile-OH hydrateBOC-(2R,3S)-2-amino-3-methylpentanoic acidN-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine

データベース識別子

CAS: 13139-16-7
PubChem CID: 433623
EC Number: 949-640-0

物性

構造計算による物性補完中

XLogP: 1.6
極性表面積: 75.6 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 16
形式電荷: 0
複雑度: 257

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.