D-Proline

HCID 8988CAS 344-25-2

基本情報

標準SMILES: O=C(O)[C@H]1CCCN1
InChIKey: ONIBWKKTOPOVIA-SCSAIBSYSA-N
分子式: C5H9NO2
平均分子量: 115.13 g/mol
単同位体質量: 115.06332853

概要

D-proline is the D-enantiomer of proline. It has a role as a mouse metabolite. It is a D-alpha-amino acid and a proline. It is a conjugate base of a D-prolinium. It is a conjugate acid of a D-prolinate. It is an enantiomer of a L-proline. It is a tautomer of a D-proline zwitterion.

名称と識別子

優先名称: D-Proline
IUPAC: (2R)-pyrrolidine-2-carboxylic acid

名称と別名

D-proline344-25-2(2R)-pyrrolidine-2-carboxylic acid(R)-pyrrolidine-2-carboxylic acidD-(+)-ProlineD-Prolin(R)-PROLINE(R)-2-CARBOXYPYRROLIDINEL01Q4LGZ5LPROLINE, D-EINECS 206-452-7(+)-(R)-PROLINE

名称をさらに表示

CHEBI:16313DTXSID70883367(2R)-pyrrolidin-1-ium-2-carboxylateRefChem:584407DTXCID801022904H-D-Pro-OHMFCD00064317R-Proline

データベース識別子

CAS: 344-25-2
PubChem CID: 8988
DTXSID: DTXSID70883367
ChEMBL: CHEMBL80257
ChEBI: CHEBI:16313
UNII: L01Q4LGZ5L
EC Number: 206-452-7
Nikkaji: J9.118I

物性

構造計算による物性

XLogP: -2.5
極性表面積: 49.3 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: 1
重原子数: 8
形式電荷: 0
複雑度: 103

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

Melting Point221 °C

Physical DescriptionSolid

Collision Cross Section122.49 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 85.7% (12 of 14) of all reports.

Warning

H315 (14.3%): 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 14 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.