기본 정보
- CAS
874949-51-6- 표준 SMILES
COC(=O)[C@]12CCC[C@H]1CN(Cc1ccccc1)C2- InChIKey
DFKYQTUJTMSPII-HOCLYGCPSA-N- 분자식
- C16H21NO2
- 평균 분자량
- 259.34 g/mol
- 단동위원소 질량
- 259.15722891
이름 및 식별자
- 우선 이름
- rel-(3aR,6aR)-Methyl 2-benzylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxylate
- IUPAC
- methyl (3aR,6aR)-2-benzyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
이름 및 동의어
rel-(3aR,6aR)-Methyl 2-benzylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxylate1037367-40-0874949-51-6rel-Methyl (3aR,6aR)-2-benzylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxylateMethyl (3aR,6aR)-2-benzylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxylateSCHEMBL2670096DFKYQTUJTMSPII-HOCLYGCPSA-NDTXSID801132078methyl (3aR,6aR)-2-benzyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylateBS-48934CS-0497951F76282
이름 더 보기
EN300-27082520rac-methyl (3aR,6aR)-2-benzyl-octahydrocyclopenta[c]pyrrole-3a-carboxylate(1R*,5R*)-3-Benzyl-3-azabicyclo[3.3.0]octan-1-ylcarboxylic acid methyl esterMethyl (3aR,6aR)-hexahydro-2-(phenylmethyl)cyclopenta[c]pyrrole-3a(1H)-carboxylateCyclopenta[c]pyrrole-3a(1H)-carboxylic acid, hexahydro-2-(phenylmethyl)-, methyl ester, (3aR,6aR)-rel-methyl (3aR,6aR)-2-(phenylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
데이터베이스 식별자
- CAS
874949-51-6- PubChem CID
- 1515514
- DTXSID
DTXSID801132078
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 338
관련 반응
2건
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