기본 정보
- CAS
104571-64-4- 표준 SMILES
CCn1cc(C(=O)NCCC(=O)O)c(=O)c2cc3c(cc21)OCO3- InChIKey
YNEPUNBYKXNTIS-UHFFFAOYSA-N- 분자식
- C16H16N2O6
- 평균 분자량
- 332.31 g/mol
- 단동위원소 질량
- 332.10083623
이름 및 식별자
- 우선 이름
- beta-Alanine, N-((5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinolin-7-yl)carbonyl)-
- IUPAC
- 3-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]propanoic acid
- 영어명
- b-Alanine,N-[(5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo[4,5-g]quinolin-7-yl)carbonyl]-
- 분자식
- C16H16N2O6
- 분자량
- 332.31
이름 및 동의어
104571-64-4BRN 5629200beta-Alanine, N-((5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinolin-7-yl)carbonyl)-N-((5-Ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinolin-7-yl)carbonyl)-beta-alanineDTXSID10146564RefChem:328906DTXCID90690553-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)propanoic acid3-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]propanoic acid3-({5-ETHYL-8-OXO-2H,5H,8H-[1,3]DIOXOLO[4,5-G]QUINOLIN-7-YL}FORMAMIDO)PROPANOIC ACIDN-[(5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)carbonyl]-beta-alanineMFCD01674488
이름 더 보기
b-Alanine,N-[(5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo[4,5-g]quinolin-7-yl)carbonyl]-β-Alanine, N-[(5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo[4,5-g]quinolin-7-yl)carbonyl]-3-[(5-Ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)-amino]-propionic acid
SCHEMBL10855346STL372224AKOS015938814VS-09238CS-0318866N-(5-Ethyl-8-oxo-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)-beta-alanine3-{[(5-ETHYL-8-OXO-5,8-DIHYDRO[1,3]DIOXOLO[4,5-G]QUINOLIN-7-YL)CARBONYL]AMINO}PROPANOIC ACID
데이터베이스 식별자
- CAS
104571-64-4- PubChem CID
- 8022644
- DTXSID
DTXSID10146564
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 575
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