1'-(tert-Butoxycarbonyl)-spiro[bicyclo[2.2.1]-hept[2]ene-7,4'-piperidine]-5-carboxylic acid
기본 정보
- CAS
1251015-75-4- 표준 SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C1C=CC2C(C(=O)O)C1- InChIKey
OCPXVYJOXILWKM-UHFFFAOYSA-N- 분자식
- C17H25NO4
- 평균 분자량
- 307.4 g/mol
이름 및 식별자
- 우선 이름
- 1'-(tert-Butoxycarbonyl)-spiro[bicyclo[2.2.1]-hept[2]ene-7,4'-piperidine]-5-carboxylic acid
- IUPAC
- 1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,4'-piperidine]-2-carboxylic acid
- 영어명
- Racemic-(1S,4S,5S)-1'-(Tert-Butoxycarbonyl)Spiro[Bicyclo[2.2.1]Hept[2]Ene-7,4'-Piperidine]-5-Carboxylic Acid
- 분자식
- C17H25NO4
- 분자량
- 307.39
이름 및 동의어
1251015-75-41'-(tert-Butoxycarbonyl)-spiro[bicyclo[2.2.1]-hept[2]ene-7,4'-piperidine]-5-carboxylic acid1'-(tert-Butoxycarbonyl)-spiro[bicyclo[2.2.1]hept[2]ene-7,4'-piperidine]-5-carboxylic acidMFCD170167991'-[(2-Methylpropan-2-yl)oxycarbonyl]spiro[bicyclo[2.2.1]hept-5-ene-7,4'-piperidine]-2-carboxylic acid1'-[(tert-butoxy)carbonyl]spiro[bicyclo[2.2.1]heptane-7,4'-piperidin]-2-ene-6-carboxylic acid1'-(Tert-butoxycarbonyl)spiro[bicyclo[2.2.1]Heptane-7,4'-piperidin]-2-ene-5-carboxylic acidRACEMIC-(1S,4S,5S)-1'-(TERT-BUTOXYCARBONYL)SPIRO[BICYCLO[2.2.1]HEPT[2]ENE-7,4'-PIPERIDINE]-5-CARBOXYLIC ACIDAKOS030231776AS-74376CS-0443607W14644
이름 더 보기
Spiro[bicyclo[2.2.1]hept-5-ene-7,4'-piperidine]-1',2-dicarboxylic acid, 1'-(1,1-dimethylethyl) esterRel-(1S,4S,5S)-1'-(tert-butoxycarbonyl)spiro[bicyclo[2.2.1]hept[2]ene-7,4'-piperidine]-5-carboxylic AcidRacemic-(1S,4S,5S)-1-(Tert-Butoxycarbonyl)Spiro[Bicyclo[2.2.1]Hept[2]Ene-7,4-Piperidine]-5-Carboxylic Acid(WX125001)
1'-tert-butoxycarbonylspiro[bicyclo[2.2.1]hept-5-ene-7,4'-piperidine]-2-carboxylic acidRACEMIC-(1S,4S,5S)-1'-(TERT-BUTOXYCARBONYL)SPIRO[BICYCLO[2.2.1]HEPT[2]ENE-7,4'-PIPERIDINE]-5-CARBOXYLICACID
데이터베이스 식별자
- CAS
1251015-75-4
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 511
물리화학적 성질
- 끓는 점
- 452.176 · 452.176±45.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.219 · 1.219±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 4.606 · 4.606±0.20(predicted)
관련 반응
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