기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N[C@@]1(C(=O)O)C[C@@H]1c1ccccc1- InChIKey
VMOVYASDUSWBOL-ABAIWWIYSA-N- 분자식
- C15H19NO4
- 평균 분자량
- 277.31 g/mol
- 단동위원소 질량
- 277.13140809
이름 및 식별자
- 우선 이름
- (1S,2R)-N-Boc-1-amino-2-phenylcyclopropanecarboxylic acid
- IUPAC
- trans-(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
이름 및 동의어
151910-11-1(1S,2R)-N-BOC-1-AMINO-2-PHENYLCYCLOPROPANECARBOXYLIC ACIDMFCD03095635(1S,2R)-1-((tert-Butoxycarbonyl)amino)-2-phenylcyclopropanecarboxylic acidCyclopropanecarboxylicacid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-phenyl-, (1S,2R)-(1S,2R)-1-((tert-butoxycarbonyl)amino)-2-phenylcyclopropane-1-carboxylic acid(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid(1S,2R)-1-[(tert-butoxycarbonyl)amino]-2-phenylcyclopropanecarboxylic acid(1S,2R)-1-{[(tert-butoxy)carbonyl]amino}-2-phenylcyclopropane-1-carboxylic acidRac-(1r,2s)-1-{[(tert-butoxy)carbonyl]amino}-2-phenylcyclopropane-1-carboxylic acid, cisVMOVYASDUSWBOL-ABAIWWIYSA-Nstarbld0019530
이름 더 보기
SCHEMBL4899633YQF3559CS-0257635(1S,2R)-1-t-butoxycarbonylamino-2-phenylcyclopropanecarboxylic acid(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-cyclopropane-1-carboxylic acidRel-(1S,2R)-1-((tert-butoxycarbonyl)amino)-2-phenylcyclopropane-1-carboxylic acid121079-56-9
데이터베이스 식별자
- PubChem CID
- 7009512
- Nikkaji
- J3.433.903A
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 395
관련 반응
4건
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