CAS 1218431-35-6 4-hydroxy-N-methylproline (HCID 11768700)

基本情報

CAS: 1218431-35-6
標準SMILES: CN1C[C@H](O)C[C@H]1C(=O)O
InChIKey: FMIPNAUMSPFTHK-UHNVWZDZSA-N
分子式: C6H11NO3
平均分子量: 145.16 g/mol
単同位体質量: 145.07389321

概要

(R)-4-hydroxy-1-methyl-L-proline is an L-proline derivative that is trans-4-hydroxy-L-proline in which the amino hydrogen has been replaced by a methyl group. It has a role as an anti-HIV-1 agent and a plant metabolite. It is a pyrrolidine alkaloid and a L-proline derivative. It is functionally related to a trans-4-hydroxy-L-proline.

名称と識別子

優先名称: 4-hydroxy-N-methylproline
IUPAC: (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid

名称と別名

4252-82-84-hydroxy-n-methylprolineM4HP cpdRefChem:523977(2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid(4R)-4-Hydroxy-1-methyl-L-prolineN-Me-Hyp-OH4-Hydroxyhygric acidL-Proline, 4-hydroxy-1-methyl-, trans-MFCD01632078N-methyl-trans-4-hydroxy-L-proline(R)-4-hydroxy-1-methyl-L-proline

名称をさらに表示

trans-N-Methyl-4-hydroxy-L-prolineAKOS006277616D96820(2S, 4R)-1-methyl-4-hydroxy-2-pyrrolidinecarboxylic acid4-Hydroxyhygrinic acidSCHEMBL589712(R)-4-hydroxy-N-methylproline(R)-4-hydroxy-1-methylproline

データベース識別子

CAS: 1218431-35-6、4252-82-8
PubChem CID: 11768700
DTXSID: DTXSID20472043
ChEMBL: CHEMBL5269599
ChEBI: CHEBI:134543
EC Number: 111-413-1、993-984-4
Nikkaji: J942.196C

物性

構造計算による物性

XLogP: -2.9
極性表面積: 60.8 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: 1
重原子数: 10
形式電荷: 0
複雑度: 148

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (100%): 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)

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

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]