(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(6-(trifluoromethyl)pyridin-3-YL)propanoate
기본 정보
- CAS
944805-57-6- 표준 SMILES
COC(=O)[C@H](Cc1ccc(C(F)(F)F)nc1)NC(=O)OC(C)(C)C- InChIKey
RWQRAIJDKAQPPY-JTQLQIEISA-N- 분자식
- C15H19F3N2O4
- 평균 분자량
- 348.32 g/mol
- 단동위원소 질량
- 348.12969158
이름 및 식별자
- 우선 이름
- (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(6-(trifluoromethyl)pyridin-3-YL)propanoate
- IUPAC
- methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-(trifluoromethyl)-3-pyridinyl]propanoate
- 영어명
- (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(6-(trifluoromethyl)pyridin-3-yl)propanoate
- 분자식
- C15H19F3N2O4
- 분자량
- 348.32
이름 및 동의어
944805-57-6(S)-METHYL 2-((TERT-BUTOXYCARBONYL)AMINO)-3-(6-(TRIFLUOROMETHYL)PYRIDIN-3-YL)PROPANOATEMFCD20528273methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-(trifluoromethyl)pyridin-3-yl]propanoateSCHEMBL1519828DTXSID40727365C15H19F3N2O4SY523314Methyl (S)-2-(Boc-amino)-3-[6-(trifluoromethyl)-3-pyridyl]propanoate(S)-methyl 2-(tert-butoxycarbonylamino)-3-(6-(trifluoromethyl)pyridin-3-yl)propanoatemethyl (2S)-2-(tert-butoxycarbonylamino)-3-[6-(trifluoromethyl)-3-pyridyl]propanoateMethyl N-(tert-butoxycarbonyl)-3-[6-(trifluoromethyl)pyridin-3-yl]-L-alaninate
이름 더 보기
methyl (S)-2-((tert-butoxycarbonyl)amino)-3-(6-(trifluoromethyl)pyridin-3-yl)propanoateMethyl (αS)-α-[[(1,1-dimethylethoxy)carbonyl]amino]-6-(trifluoromethyl)-3-pyridinepropanoate3-Pyridinepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-6-(trifluoromethyl)-, methyl ester, (αS)-
(S)-METHYL2-((TERT-BUTOXYCARBONYL)AMINO)-3-(6-(TRIFLUOROMETHYL)PYRIDIN-3-YL)PROPANOATE
데이터베이스 식별자
- CAS
944805-57-6- PubChem CID
- 57634158
- DTXSID
DTXSID40727365
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 77.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 449
물리화학적 성질
- 끓는 점
- 425.4 · 425.4±45.0 °C(Predicted)
- 밀도
- 1.24 · 1.240±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.73 · 10.73±0.46(Predicted)
화학 및 산업
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하류 제품
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