기본 정보
- CAS
853680-95-2- 표준 SMILES
Cc1ccc(CC(CCNC(=O)OC(C)(C)C)C(=O)O)cc1- InChIKey
MIESPZMBLDUNIP-UHFFFAOYSA-N- 분자식
- C17H25NO4
- 평균 분자량
- 307.4 g/mol
- 단동위원소 질량
- 307.17835828
이름 및 식별자
- 우선 이름
- 4-[(tert-Butoxycarbonyl)amino]-2-(4-methylbenzyl)-butanoic acid
- IUPAC
- 2-[(4-methylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
이름 및 동의어
853680-95-24-[(tert-Butoxycarbonyl)amino]-2-(4-methylbenzyl)-butanoic acid4-[(tert-butoxycarbonyl)amino]-2-(4-methylbenzyl)butanoic acidMFCD166227754-{[(tert-butoxy)carbonyl]amino}-2-[(4-methylphenyl)methyl]butanoic acid2-[(4-methylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid4-((Tert-butoxycarbonyl)amino)-2-(4-methylbenzyl)butanoic acidSCHEMBL28005604-tert-Butoxycarbonylamino-2-(4-methylbenzyl)-butyric acidMIESPZMBLDUNIP-UHFFFAOYSA-NDTXSID6011368624-[(tert-butoxycarbonyl)amino]-2-[(4-methylphenyl)methyl]butanoic acid
이름 더 보기
AKOS015838148CE-07564-(tert-butoxycarbonylamino)-2-(p-tolylmethyl)butanoic acid4-{[(tert-butoxy)carbonyl]amino}-2-[(4-methylphenyl)methyl]butanoicacidI+/--[2-[[(1,1-Dimethylethoxy)carbonyl]amino]ethyl]-4-methylbenzenepropanoic acid
데이터베이스 식별자
- CAS
853680-95-2- PubChem CID
- 51072004
- DTXSID
DTXSID601136862
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 367
관련 반응
2건
화합물 노트
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