기본 정보
- CAS
74411-97-5- 표준 SMILES
CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)O)C1=O- InChIKey
GLPLDJICXMMSBB-QMMMGPOBSA-N- 분자식
- C12H20N2O5
- 평균 분자량
- 272.3 g/mol
- 단동위원소 질량
- 272.13722174
이름 및 식별자
- 우선 이름
- (S)-2-(3-(tert-Butoxycarbonylamino)-2-oxopiperidin-1-yl)acetic acid
- IUPAC
- 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid
- 현지명
- (S)-2-(3-(TERT-BUTOXYCARBONYLAMINO)-2-OXOPIPERIDIN-1-YL)아세트산
- 영어명
- (S)-2-(3-(tert-Butoxycarbonylamino)-2-oxopiperidin-1-yl)aceticacid
- 분자식
- C12H20N2O5
- 분자량
- 272.3
이름 및 동의어
74411-97-5(S)-2-(3-(tert-Butoxycarbonylamino)-2-oxopiperidin-1-yl)acetic acid(S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxopiperidin-1-yl)acetic acidMFCD026843942-[(3S)-3-{[(tert-butoxy)carbonyl]amino}-2-oxopiperidin-1-yl]acetic acid2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid(S)-2-[3-(N-Boc-amino)-2-oxopiperidin-1-yl]acetic Acid(S)-2-(3-(BOC-AMINO)-2-OXOPIPERIDIN-1-YL)ACETIC ACID(S)-2-(3-(tert-butoxycarbonyl)-2-oxopiperidin-1-yl)acetic acid(S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxopiperidin-1-yl)aceticacid(S)-2-(3-(tert-Butoxycarbonylamino)-2-oxopiperidin-1-yl)aceticacidSCHEMBL2707140
이름 더 보기
(S)-2-(3-(TERT-BUTOXYCARBONYLAMINO)-2-OXOPIPERIDIN-1-YL)아세트산Boc-(S)-2-(3-amino-2-oxopiperidin-1-yl)acetic acid(S)-3-(Boc-amino)-1-(carboxymethyl)-2-oxopiperidine{3-[(tert-Butoxycarbonyl)amino]-2-oxopiperidin-1-yl}acetic acid(S)-2-(3-(tert-Butoxycarbonylamino)-2-oxopiperidin-1-yl)acetic aci
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 95.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 375
물리화학적 성질
- 녹는점
- 110 · 110-113 °C
- 끓는 점
- 497.9 · 497.9±45.0 °C(Predicted)
- 밀도
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 3.73 · 3.73±0.10(Predicted)
화학 및 산업
공급사32 곳
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