기본 정보
- CAS
120806-96-4- 표준 SMILES
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1- InChIKey
QEQGWOLBDNOSAD-MNOVXSKESA-N- 분자식
- C13H15NO4
- 평균 분자량
- 249.26 g/mol
- 단동위원소 질량
- 249.10010796
이름 및 식별자
- 우선 이름
- (2S,4R)-Methyl 1-benzoyl-4-hydroxypyrrolidine-2-carboxylate
- IUPAC
- methyl (2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxylate
- 영어명
- trans-1-Benzoyl-4-hydroxy-L-proline methyl ester
- 분자식
- C13H15NO4
- 분자량
- 249.26
이름 및 동의어
(2S,4R)-Methyl 1-benzoyl-4-hydroxypyrrolidine-2-carboxylate31560-20-0120806-96-4methyl (2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxylateSCHEMBL2059306DTXSID90953536Methyl 1-benzoyl-4-hydroxyprolinateAKOS000278449AC-22525Methyl (4R)-1-benzoyl-4-hydroxy-L-prolinate(trans)-1-benzoyl-4-hydroxy-L-proline methyl ester(trans)-1-Benzoyl-4-hydroxy-L-proline, methyl ester
이름 더 보기
N-Benzoylhydroxy-L-prolinmethylestercis-1-Benzoyl-4-hydro×y-L-prolineMethyl estertrans-1-Benzoyl-4-hydroxy-L-proline methyl esterTRANS-1-BENZOYL-4-HYDROXYL-L-PROLINE METHYL ESTERL-Proline, 1-benzoyl-4-hydroxy-, methyl ester, (4S)-TRANS-1-BENZOYL-4-HYDROXY-L-PROLINE METHYL ESTER USP/EP/BP(2S,4S)-Methyl 1-benzoyl-4-hydroxypyrrolidine-2-carboxylate(2S,4R)-Methyl 4-hydro×y-1-benzoylpyrrolidine-2-carbo×ylate
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 325
화학 및 산업
공급사18 곳
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