(R)-3-하이드록시-2-메틸-5-옥소-2,5-디하이드로-피롤-1-카르복실산tert-부틸에스테르
(R)-tert-Butyl 3-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
기본 정보
- CAS
664364-22-1- 표준 SMILES
C[C@@H]1C(O)=CC(=O)N1C(=O)OC(C)(C)C- InChIKey
STOXJZVUXFUVOA-ZCFIWIBFSA-N- 분자식
- C10H15NO4
- 평균 분자량
- 213.23 g/mol
- 단동위원소 질량
- 213.10010796
이름 및 식별자
- 우선 이름
- (R)-tert-Butyl 3-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
- IUPAC
- tert-butyl (2R)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carboxylate
- 현지명
- (R)-3-하이드록시-2-메틸-5-옥소-2,5-디하이드로-피롤-1-카르복실산tert-부틸에스테르
- 영어명
- (R)-3-Hydroxy-2-Methyl-5-oxo-2,5-dihydro-pyrrole-1-carboxylic acid tert-butyl ester
- 분자식
- C10H15NO4
- 분자량
- 213.23
이름 및 동의어
664364-22-1(R)-tert-Butyl 3-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate(R)-3-Hydroxy-2-methyl-5-oxo-2,5-dihydro-pyrrole-1-carboxylic acid tert-Butyl estertert-butyl (2R)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carboxylateSCHEMBL27635233DTXSID10724902MFCD19441914AKOS015994912DB-362339(R)-1-Boc-3-hydroxy-2-methyl-5-oxo-2,5-dihydro-pyrrole(R)-tert-Butyl3-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylatetert-butyl (2R)-3-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
이름 더 보기
(R)-3-하이드록시-2-메틸-5-옥소-2,5-디하이드로-피롤-1-카르복실산tert-부틸에스테르1H-Pyrrole-1-carboxylic acid, 2,5-dihydro-3-hydroxy-2-methyl-5-oxo-, 1,1-dimethylethyl ester, (2R)-
tert-butyl (R)-3-hydroxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
데이터베이스 식별자
- CAS
664364-22-1- PubChem CID
- 57372571
- DTXSID
DTXSID10724902
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 327
물리화학적 성질
- 끓는 점
- 287 · 287.0±50.0 °C(Predicted)
- 밀도
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
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