(2E)-5-(tert-Butyloxycarbonylamino)-5-methylhex-2-enoic acid
기본 정보
- CAS
181646-42-4- 표준 SMILES
CC(C)(C/C=C/C(=O)O)NC(=O)OC(C)(C)C- InChIKey
NRPOEGFAIJAQIE-VOTSOKGWSA-N- 분자식
- C12H21NO4
- 평균 분자량
- 243.3 g/mol
이름 및 식별자
- 우선 이름
- (2E)-5-(tert-Butyloxycarbonylamino)-5-methylhex-2-enoic acid
- IUPAC
- (E)-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acid
- 영어명
- (2E)-5-(tert-Butyloxycarbonylamino)-5-methylhex-2-enoic Acid
- 분자식
- C12H21NO4
- 분자량
- 243.3
이름 및 동의어
181646-42-4(2E)-5-(tert-Butyloxycarbonylamino)-5-methylhex-2-enoic acid(2E)-5-{[(tert-butoxy)carbonyl]amino}-5-methylhex-2-enoic acid(E)-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic Acid2-Hexenoic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-,(2E)-(2E)-5-[[(1,1-Dimethylethoxy)carbonyl]amino]-5-methyl-2-hexenoic Acid; (E)- 5-[[(1,1-Dimethylethoxy)carbonyl]amino]-5-methyl-2-hexenoic AcidSCHEMBL1401112NRPOEGFAIJAQIE-VOTSOKGWSA-NDB-192885EN300-23404861(2E)-5-tertButoxycarbonylamino-5-methylhex-2-enoic acid(2E)-5tert-Butoxycarbonylamino-5-methylhex-2enoic acid
이름 더 보기
2-Hexenoic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (2E)-
(2E)-5-(tertbutoxycarbonylamino)-5-methylhex-2-enoic acid(2E)-5-tert-Butoxycarbonylamino-5-methylhex-2-enoic acid(2E)-5(tert.-butoxycarbonylamino)-5-methylhex-2-enoic acid(2E)-5-(tert-butoxycarbonylamino)-5-methylhex-2-enoic acid(2E)-5-(tert-butyloxycarbonylamino)-5-methyl-2-hexenoic acid(2E)-5-(tert-Butyloxycarbonylamino)-5-methylhex-2enoic acid(2E)-5-(tert-butyoxycarbonylamino)-5-methylhex-2-enoic acid(2E)-5-(tert.-butoxycarbonylamino)-5-methylhex-2-enoic acid
데이터베이스 식별자
- CAS
181646-42-4- Nikkaji
- J1.549.434D
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 313
물리화학적 성질
- 녹는점
- 76 · 76-79°C
- 끓는 점
- 397.7 · 397.7±35.0 °C(Predicted)
- 밀도
- 1.07 · 1.070±0.06 g/cm3(Predicted)
- 저장 조건
- Refrigerator
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4.76 · 4.76±0.10(Predicted)
- 색상
- 회백색
화학 및 산업
응용 분야
용도(2E)-5-(tert-Butyloxycarbonylamino)-5-methylhex-2-enoic Acid is used in the preparation of C-terminal sulfonamide analogs of NN703 as growth hormone secretagogues.
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