(3aS,6aS)-헥사히드로-피롤로[3,4-b]피롤-1-카르복실산tert-부틸에스테르

1,1-Dimethylethyl (3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylate

HCID 29949089

기본 정보

CAS
370880-16-3
표준 SMILES
CC(C)(C)OC(=O)N1CC[C@H]2CNC[C@H]21
InChIKey
OIKZNKIPPFFTKA-DTWKUNHWSA-N
분자식
C11H20N2O2
평균 분자량
212.29 g/mol
단동위원소 질량
212.15247789

이름 및 식별자

우선 이름
1,1-Dimethylethyl (3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylate
IUPAC
tert-butyl (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate
현지명
(3aS,6aS)-헥사히드로-피롤로[3,4-b]피롤-1-카르복실산tert-부틸에스테르
영어명
(3aS, 6aS)-Hexahydro-pyrrolo[3,4-b]pyrrole-1-carboxylic acid tert-butyl ester
분자식
C11H20N2O2
분자량
212.29

이름 및 동의어

370880-16-31,1-Dimethylethyl (3aS,6aS)-hexahydropyrrolo(3,4-b)pyrrole-1(2H)-carboxylate1,1-Dimethylethyl (3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylateRefChem:213807TERT-BUTYL (3AS,6AS)-HEXAHYDROPYRROLO[3,4-B]PYRROLE-1(2H)-CARBOXYLATE(3aS,6aS)-tert-Butyl hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylateMFCD18917061tert-butyl (3aS,6aS)-octahydropyrrolo[2,3-c]pyrrole-1-carboxylate(3aS,6aS)-rel-tert-Butyl hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylate(3aS, 6aS)-Hexahydro-pyrrolo[3,4-b]pyrrole-1-carboxylic acid tert-butyl estertert-butyl (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate1-BOC-(3AS,6AS)-OCTAHYDROPYRROLO[3,4-B]PYRROLE
이름 더 보기
(3aS,6aS)-헥사히드로-피롤로[3,4-b]피롤-1-카르복실산tert-부틸에스테르(3aS,6aS)-1-Boc-octahydropyrrolo[3,4-b]pyrrole(3aS, 6aS)-Hexahydro-pyrrolo[3,4-b]pyrrole-1-carboCis-Tert-Butylhexahydropyrrolo[3,4-B]Pyrrole-1(2H)-Carboxylate*tert-butyl rac-(3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylatetert-butyl (3aS,6aS)-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate - [AC78391]Pyrrolo[3,4-b]pyrrole-1(2H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester, (3aS,6aS)-
MFCD12198661cis-1-Boc-octahydropyrrolo[3,4-b]pyrrole(3aR,6aR)-Octahydorb3031712SCHEMBL1135308tert-butyl (3aS,6aS)-rel-octahydropyrrolo[2,3-c]pyrrole-1-carboxylateDTXSID20652404(3aR, 6aR)-Hexahydro-pyrrolo[3,4-b]pyrrole-1-carboxylic acid tert-butyl ester

데이터베이스 식별자

CAS
370880-16-3
PubChem CID
29949089
DTXSID
DTXSID20652404

물성

구조 계산 물성

XLogP
0.9
극성 표면적
41.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
15

물리화학적 성질

끓는 점
295.4 · 295.4±13.0 °C(Predicted)
밀도
1.076 · 1.076±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
10.66 · 10.66±0.20(Predicted)

화학 및 산업

공급사23 곳

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
学研惠(武汉)科技有限公司15727060112 · [email protected]

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