1-(TERT-부톡시카보닐)-4-옥소피롤리딘-2-카복실산

1-((Tert-butoxy)carbonyl)-4-oxopyrrolidine-2-carboxylic acid

HCID 4150645CAS 876317-19-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CC(=O)CC1C(=O)O
InChIKey: CKYGSXRXTIKGAJ-UHFFFAOYSA-N
분자식: C10H15NO5
평균 분자량: 229.23 g/mol
단동위원소 질량: 229.09502258

이름 및 식별자

우선 이름: 1-((Tert-butoxy)carbonyl)-4-oxopyrrolidine-2-carboxylic acid
IUPAC: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic acid
현지명: 1-(TERT-부톡시카보닐)-4-옥소피롤리딘-2-카복실산
영어명: 1-(tert-Butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid
분자식: C10H15NO5
분자량: 229.23

이름 및 동의어

1-[(tert-butoxy)carbonyl]-4-oxopyrrolidine-2-carboxylic acid1-((Tert-butoxy)carbonyl)-4-oxopyrrolidine-2-carboxylic acidRefChem:419088813-854-1876317-19-01-(tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid1-(tert-Butoxycarbonyl)-4-oxopyrrolidine-2-carboxylicacidN-Boc-4-oxo-DL-ProlineMFCD026681691-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic acidBoc-4-Oxo-D-Pro-OH1-(tert-butoxycarbonyl)-4-oxoproline

이름 더 보기

1-(TERT-부톡시카보닐)-4-옥소피롤리딘-2-카복실산BOC- 4-OXOPYRROLIDINE-2-CARBOXYLIC ACID1-Boc-4-oxo-2-pyrrolidinecarboxylic acidN-BOC-4-oxopyrrolidine-2-carboxylic acid4-OXOPYRROLIDINE-2-CARBOXYLIC ACID, N-BOC PROTECTED4-Oxopyrrolidine-2-carboxylic acid, N-BOC protected 97%1-tert-(Butoxycarbonyl)pyrrolidin-4-one-2-carboxylic acid4-OXO-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER

1-[(tert-Boc-DL-4-oxo-Pro-OHSCHEMBL204966(2S)-1-TERT-BUTYL HYDROGEN 4-OXOPYRROLIDINE-1,2-DICARBOXYLATEDTXSID10399957AKOS015900150CS-W018880SB13453

데이터베이스 식별자

CAS: 876317-19-0
PubChem CID: 4150645
DTXSID: DTXSID10399957
EC Number: 813-854-1

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 83.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 331

물리화학적 성질

녹는점: 155 °C · 155 °C
끓는 점: 390.8 · 390.8±42.0 °C(Predicted)
밀도: 1.304 · 1.304±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.85 · 3.85±0.20(Predicted)
색상: 갈색

안전 및 규제

GHS 분류

GHS Classification · 4건

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, 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.