기본 정보
- 표준 SMILES
CCOC(=O)c1c(CC(=O)O)[nH]c(C(=O)OC(C)(C)C)c1C- InChIKey
JMNRKZXUTHRPPY-UHFFFAOYSA-N- 분자식
- C15H21NO6
- 평균 분자량
- 311.33 g/mol
이름 및 식별자
- 우선 이름
- 5-carboxymethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester
- IUPAC
- 2-[3-ethoxycarbonyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]acetic acid
이름 및 동의어
945381-56-65-carboxymethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester2-(5-(tert-Butoxycarbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl)acetic acid2-[3-ethoxycarbonyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]acetic acid2-{5-[(tert-butoxy)carbonyl]-3-(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl}acetic acid2-[5-[(TERT-BUTOXY)CARBONYL]-3-(ETHOXYCARBONYL)-4-METHYL-1H-PYRROL-2-YL]ACETIC ACIDstarbld0040383SCHEMBL138566JMNRKZXUTHRPPY-UHFFFAOYSA-NSB21978DA-40270CS-0147693
이름 더 보기
F95332ethoxycarbonyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]acetic acid
데이터베이스 식별자
- PubChem CID
- 49840327
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 442
관련 반응
8건
화합물 노트
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