D-Proline

HCID 8988CAS 344-25-2

기본 정보

표준 SMILES: O=C(O)[C@H]1CCCN1
InChIKey: ONIBWKKTOPOVIA-SCSAIBSYSA-N
분자식: C5H9NO2
평균 분자량: 115.13 g/mol
단동위원소 질량: 115.06332853

개요

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.

이름 및 식별자

우선 이름: D-Proline
IUPAC: (2R)-pyrrolidine-2-carboxylic acid

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -2.5
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 103

실험 및 물리화학적 성질

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)]

안전 및 규제

GHS 분류

GHS Classification · 5건

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.