(S)-5-(cyclohexylmethyl)-2,5-dihydro-4-hydroxy-2-oxo-1H-pyrrole-3-carboxylic acid, ethyl ester
기본 정보
- CAS
126910-73-4- 표준 SMILES
CCOC(=O)C1=C(O)[C@H](CC2CCCCC2)NC1=O- InChIKey
GIVIXWWBKXREBW-JTQLQIEISA-N- 분자식
- C14H21NO4
- 평균 분자량
- 267.32 g/mol
- 단동위원소 질량
- 267.14705815
이름 및 식별자
- 우선 이름
- (S)-5-(cyclohexylmethyl)-2,5-dihydro-4-hydroxy-2-oxo-1H-pyrrole-3-carboxylic acid, ethyl ester
- IUPAC
- ethyl (2S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carboxylate
이름 및 동의어
GIVIXWWBKXREBW-JTQLQIEISA-NDTXSID801115220Ethyl (5S)-5-(cyclohexylmethyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate(S)-5-(cyclohexylmethyl)-2,5-dihydro-4-hydroxy-2-oxo-1H-pyrrole-3-carboxylic acid, ethyl ester126910-73-41H-Pyrrole-3-carboxylic acid, 5-(cyclohexylmethyl)-2,5-dihydro-4-hydroxy-2-oxo-, ethyl ester, (S)-
데이터베이스 식별자
- CAS
126910-73-4- PubChem CID
- 86743474
- DTXSID
DTXSID801115220
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 396
관련 반응
3건
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