5-carboxymethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester

HCID 49840327

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

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