1-[(Tert-butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid

HCID 4198035

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 203869-80-1
표준 SMILES: CC(C)(C)OC(=O)N1CCCC1(C)C(=O)O
InChIKey: YQXRKJHVAUKXRN-UHFFFAOYSA-N
분자식: C11H19NO4
평균 분자량: 229.27 g/mol
단동위원소 질량: 229.13140809

이름 및 식별자

우선 이름: 1-[(Tert-butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid
IUPAC: 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
영어명: BOC-ALPHA-ALLYL-ME-DL-PRO-OH
분자식: C11H19NO4
분자량: 229.27

이름 및 동의어

1-[(tert-butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid1-((tert-butoxy)carbonyl)-2-methylpyrrolidine-2-carboxylic acidRefChem:418964676-379-7203869-80-11-Boc-2-methyl-DL-proline1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acidMFCD030954942-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic AcidBoc-|A-Me-DL-Pro-OH1-Boc-2-methyl-2-pyrrolidinecarboxylic acidBoc-alpha-Me-DL-Pro-OH

이름 더 보기

boc-α-me-dl-pro-ohBoc-α-Me-DL-Pro-OHBoc-α-Me-DL-Pro-OH, CAS 203869-80-1BOC-ALPHA-ALLYL-ME-DL-PRO-OH USP/EP/BP

2-Methyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester1,2-Pyrrolidinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) esterBOC-ALPHA-ALLYL-ME-DL-PRO-OH2-methyl-pyrrol1-(tert-butoxycarbonyl)-2-methylprolineBoc-DL-|A-Me-Pro-OHSCHEMBL192363orb3143742

데이터베이스 식별자

CAS: 203869-80-1
PubChem CID: 4198035
DTXSID: DTXSID70400730
EC Number: 676-379-7

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 308

물리화학적 성질

녹는점: 91 · 91-94 °C
끓는 점: 337.8 · 337.8±35.0 °C(Predicted)
밀도: 1.16 · 1.160±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 4.2 · 4.20±0.20(Predicted)
물리적 상태: 고체
색상: 회백색
BRN: 5869143 · 5869143
주요 응용: 펩타이드 합성
InChI: InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-7-5-6-11(12,4)8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKey: YQXRKJHVAUKXRN-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCCC1(C)C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.