2-tert-butyl 3-methyl (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxylate

HCID 21311306

기본 정보

표준 SMILES
COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)OC(C)(C)C
InChIKey
FBOGDNKBFVXJTM-ZDUSSCGKSA-N
분자식
C16H21NO5
평균 분자량
307.34 g/mol
단동위원소 질량
307.14197277

이름 및 식별자

우선 이름
2-tert-butyl 3-methyl (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxylate
IUPAC
2-O-tert-butyl 3-O-methyl (3S)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate

이름 및 동의어

2-tert-butyl 3-methyl (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxylate2-O-tert-butyl 3-O-methyl (3S)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate262616-16-0SCHEMBL2895743SCHEMBL305920132-(tert-Butyl) 3-methyl (3S)-7-hydroxy-3,4-dihydro-2,3(1H)-isoquinolinedicarboxylateFBOGDNKBFVXJTM-ZDUSSCGKSA-NAKOS005264138EN300-7435397Methyl 2-(t-butyloxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3(S)-carboxylate(3S)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-tert-butyl ester 3-methyl ester(s)-2-(t-butyloxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester
이름 더 보기
(S)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-tert-butyl ester 3-methyl ester

데이터베이스 식별자

PubChem CID
21311306

물성

구조 계산 물성

XLogP
2.2
극성 표면적
76.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
22

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6건

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