기본 정보
- 표준 SMILES
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](O)CN1)C(=O)OCC.Cl- InChIKey
NBJWPFOWARTFEN-RFPNMSNKSA-N- 분자식
- C13H21ClN2O4
- 평균 분자량
- 304.77 g/mol
이름 및 식별자
- 우선 이름
- (1R,2S)-ethyl 1-((3R,5S)-3-hydroxypyrrolidine-5-carboxamido)-2-vinylcyclopropanecarboxylate hydrochloride
- IUPAC
- trans-ethyl (1R,2S)-2-ethenyl-1-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;hydrochloride
이름 및 동의어
(1R,2S)-Ethyl 1-((2S,4R)-4-hydroxypyrrolidine-2-carboxamido)-2-vinylcyclopropanecarboxylate hydrochloride(1R,2S)-ethyl 1-((3R,5S)-3-hydroxypyrrolidine-5-carboxamido)-2-vinylcyclopropanecarboxylate hydrochloride924305-02-2ethyl (1R,2S)-2-ethenyl-1-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;hydrochlorideSCHEMBL2240482NBJWPFOWARTFEN-RFPNMSNKSA-NDB-189590(1R,2 S)-ethyl 1-((3R,5S)-3-hydroxypyrrolidine-5-carboxamido)-2-vinylcyclopropanecarboxylate hydrochloride(1r,2s)-ethyl-1-((2s,4r)-4-hydroxypyrrolidine-2-carboxamido)-2-vinylcyclopropanecarboxylate hydrochloride saltethyl 1(R)-[4(R)-hydroxypyrrolidine-2(S)-carboxamido]-2(S)-vinylcyclopropanecarboxylate hydrochloride
데이터베이스 식별자
- PubChem CID
- 67330424
물성
구조 계산 물성
- 극성 표면적
- 87.7 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 398
관련 반응
13건
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