기본 정보
- CAS
955138-40-6- 표준 SMILES
COC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)OC(C)(C)C- InChIKey
MDCRPZPQWWVTKY-GJZGRUSLSA-N- 분자식
- C18H26N2O4
- 평균 분자량
- 334.4 g/mol
- 단동위원소 질량
- 334.18925731
이름 및 식별자
- 우선 이름
- methyl (3S,4R)-1-benzyl-4-((tert-butoxycarbonyl)amino)pyrrolidine-3-carboxylate
- IUPAC
- methyl (3S,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylate
- 현지명
- (트랜스)-메틸1-벤질-4-(tert-부톡시카르보닐아미노)피롤리딘-3-카르복실레이트
- 영어명
- (trans)-methyl 1-benzyl-4-(tert-butoxycarbonylamino)pyrrolidine-3-carboxylate
- 분자식
- C18H26N2O4
- 분자량
- 334.41
이름 및 동의어
955138-40-6trans-Methyl 1-benzyl-4-((tert-butoxycarbonyl)amino)pyrrolidine-3-carboxylatemethyl (3S,4R)-1-benzyl-4-((tert-butoxycarbonyl)amino)pyrrolidine-3-carboxylate1932508-61-6methyl (3S,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylateMethyl (3S,4R)-1-benzyl-4-[(tert-butoxycarbonyl)amino]pyrrolidine-3-carboxylate(trans)-methyl 1-benzyl-4-(tert-butoxycarbonylamino)pyrrolidine-3-carboxylateSCHEMBL15099462DTXSID80856406methyl (3S,4R)-1-benzyl-4-{[(tert-butoxy)carbonyl]amino}pyrrolidine-3-carboxylateAKOS016845933Trans-Methyl1-benzyl-4-(t-butoxycarbonylamino)-pyrrolidine-3-carboxylate
이름 더 보기
(트랜스)-메틸1-벤질-4-(tert-부톡시카르보닐아미노)피롤리딘-3-카르복실레이트trans-Methyl 1-benzyl-4-(t-butoxycarbonyl amino)-pyrrolidine-3-carboxylatemethyl trans-1-benzyl-4-(tert-butoxycarbonylamino)pyrrolidine-3-carboxylate(3S,4R)-methyl 1-benzyl-4-((tert-butoxycarbonyl)amino)pyrrolidine-3-carboxylate3-Pyrrolidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(phenylmethyl)-, methyl ester, (3R,4S)-rel-
methyl (3S,4R)-1-benzyl-4-(tert-butoxycarbonylamino)pyrrolidine-3-carboxylatemethyl rac-(3S,4R)-1-benzyl-4-(tert-butoxycarbonylamino)pyrrolidine-3-carboxylate
데이터베이스 식별자
- CAS
955138-40-6- PubChem CID
- 71607463
- DTXSID
DTXSID80856406
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 67.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 441
물리화학적 성질
- 끓는 점
- 436.6 · 436.6±45.0 °C(Predicted)
- 밀도
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 11.61 · 11.61±0.40(Predicted)
화학 및 산업
공급사13 곳
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