1-(1,1-Dimethylethyl) 3-ethyl 4-[2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)ethyl]-1,3-piperazinedicarboxylate

HCID 59215848

기본 정보

표준 SMILES
CCOC(=O)C1CN(C(=O)OC(C)(C)C)CCN1CCNC(=O)OC(C)(C)C
InChIKey
AIUMSOSJFHKDDR-UHFFFAOYSA-N
분자식
C19H35N3O6
평균 분자량
401.5 g/mol
단동위원소 질량
401.25258584

이름 및 식별자

우선 이름
1-(1,1-Dimethylethyl) 3-ethyl 4-[2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)ethyl]-1,3-piperazinedicarboxylate
IUPAC
1-O-tert-butyl 3-O-ethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazine-1,3-dicarboxylate

이름 및 동의어

SCHEMBL337113AIUMSOSJFHKDDR-UHFFFAOYSA-N1-(1,1-dimethylethyl) 3-ethyl 4-[2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)ethyl]-1,3-piperazinedicarboxylate

데이터베이스 식별자

PubChem CID
59215848

물성

구조 계산 물성

XLogP
1.9
극성 표면적
97.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
10
무거운 원자 수
28

관련 반응

7건

화합물 노트

불러오는 중…

1-(1,1-Dimethylethyl) 3-ethyl 4-[2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)ethyl]-1,3-piperazinedicarboxylate (HCID 59215848)|Huagongshe