(S)-2-Cyclopentyloxycarbonylamino-3,3-dimethyl-butyric acid

HCID 23595129

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基本情報

CAS: 572924-00-6
標準SMILES: CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)O
InChIKey: VKOXJCPQUQBCAJ-SECBINFHSA-N
分子式: C12H21NO4
平均分子量: 243.3 g/mol
単同位体質量: 243.14705815

名称と識別子

優先名称: (S)-2-Cyclopentyloxycarbonylamino-3,3-dimethyl-butyric acid
IUPAC: (2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid
英語名: (S)-2-Cyclopentyloxycarbonylamino-3,3-dimethyl-butyric acid
分子式: C12H21NO4
分子量: 243.3

名称と別名

572924-00-6(S)-2-Cyclopentyloxycarbonylamino-3,3-dimethyl-butyric acid(S)-2-(((Cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acidL-Valine, N-[(cyclopentyloxy)carbonyl]-3-methyl-SCHEMBL1536518DTXSID10635120VKOXJCPQUQBCAJ-SECBINFHSA-NAKOS025402448AC-9258N-[(Cyclopentyloxy)carbonyl]-3-methyl-L-valine(S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid

名称をさらに表示

N-[(Cyclopentyloxy)carbonyl]-3-methylvalineN-[(cyclopentyloxy)carbonyl]-L-tert-leucineL-Valine, N-[(cyclopentyloxy)carbonyl]-3-Methyl

(S)-2-(((Cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoicacid(2S)-2-{[(CYCLOPENTYLOXY)CARBONYL]AMINO}-3,3-DIMETHYLBUTANOIC ACID

データベース識別子

CAS: 572924-00-6
PubChem CID: 23595129
DTXSID: DTXSID10635120
EC Number: 675-963-9

物性

構造計算による物性

XLogP: 2.6
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: 5
重原子数: 17
形式電荷: 0
複雑度: 289

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.