기본 정보
- CAS
367501-40-4- 표준 SMILES
CC(C)(C)OC(=O)N1CCN(CC(C(=O)O)c2ccccc2)CC1- InChIKey
BBMNXLMHULBUDC-UHFFFAOYSA-N- 분자식
- C18H26N2O4
- 평균 분자량
- 334.4 g/mol
- 단동위원소 질량
- 334.18925731
이름 및 식별자
- 우선 이름
- 3-[4-(Tert-butoxycarbonyl)piperazino]-2-phenylpropanoic acid
- IUPAC
- 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-phenylpropanoic acid
이름 및 동의어
367501-40-43-[4-(tert-butoxycarbonyl)piperazino]-2-phenylpropanoic acid3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-phenylpropanoic acidMFCD118410373-[4-(tert-butoxycarbonyl)piperazin-1-yl]-2-phenylpropanoic acid3-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}-2-phenylpropanoic acid3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-phenylpropanoic acidSCHEMBL5400970BBMNXLMHULBUDC-UHFFFAOYSA-NDTXSID901158326AKOS005073594MC-0752
이름 더 보기
CS-03595063-[4-(tert-butoxycarbonyl)piperazino]-2- phenylpropanoic acid3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-phenylpropanoicacid3-(4-tert-butoxycarbonylpiperazin-1-yl)-2-phenyl-propanoic acid4-(2-Carboxy-2-phenyl-ethyl)-piperazine-1-carboxylic acid tert-butyl ester4-[(1,1-Dimethylethoxy)carbonyl]-I+/--phenyl-1-piperazinepropanoic acid
데이터베이스 식별자
- CAS
367501-40-4- PubChem CID
- 45588421
- DTXSID
DTXSID901158326
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 70.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 433
관련 반응
5건
화합물 노트
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