4-((tert-Butoxycarbonyl)amino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

HCID 57750394

기본 정보

표준 SMILES
CC(C)(C)OC(=O)NC1(C(=O)O)CCN(c2ncnc3[nH]ccc23)CC1
InChIKey
BXOSYQSFTOLZST-UHFFFAOYSA-N
분자식
C17H23N5O4
평균 분자량
361.4 g/mol

이름 및 식별자

우선 이름
4-((tert-Butoxycarbonyl)amino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
IUPAC
4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

이름 및 동의어

956460-96-14-((tert-Butoxycarbonyl)amino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acidMFCD131778744-[(tert-butoxycarbonyl)amino]-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid4-{[(tert-butoxy)carbonyl]amino}-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-carboxylic acid4-(tert-Butoxycarbonylamino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid4-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid4-((tert-Butoxycarbonyl)amino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylicacid4-(Boc-amino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic Acid4-(Boc-amino)-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-carboxylic acidCapivasertib Impurity N1
이름 더 보기
SCHEMBL390884SCHEMBL31374403BXOSYQSFTOLZST-UHFFFAOYSA-NAKOS025396014SB17713AS-48093SY295579DB-324790

데이터베이스 식별자

PubChem CID
57750394

물성

구조 계산 물성

XLogP
1.8
극성 표면적
120 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
7
회전 가능 결합 수
5
무거운 원자 수
26

관련 반응

49건

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