(2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-methylbenzyl)pyrrolidine-2-carboxylic acid
기본 정보
- CAS
959578-52-0- 표준 SMILES
Cc1ccccc1C[C@@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1- InChIKey
JRUUPMRYVHHJQL-HIFRSBDPSA-N- 분자식
- C18H25NO4
- 평균 분자량
- 319.4 g/mol
- 단동위원소 질량
- 319.17835828
이름 및 식별자
- 우선 이름
- (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-methylbenzyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S,4R)-4-[(2-methylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
- 영어명
- (2S,4R)-1-(tert-butoxycarbonyl)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid
- 분자식
- C18H25NO4
- 분자량
- 319.4
이름 및 동의어
959578-52-0(2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-methylbenzyl)pyrrolidine-2-carboxylic acidBoc-(R)-gamma-(2-methyl-benzyl)-L-prolineMFCD06659405(2S,4R)-4-[(2-methylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acidN-Boc-(4R)-4-(2-methylbenzyl)-L-prolineSCHEMBL1371847DTXSID80376018(2S,4R)-1-[(tert-butoxy)carbonyl]-4-[(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid(2S,4R)-1-tert-butoxycarbonyl-4-(o-tolylmethyl)pyrrolidine-2-carboxylic acidAKOS015949750(2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-methylbenzyl)pyrrolidine-2-carboxylicacid
이름 더 보기
Boc-(R)-3-(2-methyl-benzyl)-L-prolineBoc-(R)-γ-(2-methyl-benzyl)-L-proline(Tert-Butoxy)Carbonyl (R)-γ-(2-methyl-benzyl)-L-ProN-(t-Butoxycarbonyl)-trans-4-(2-methylbenzyl)-L-prolineBoc-(2S,4R)-4-(2-methylbenzyl)pyrrolidine-2-carboxylicacid1,2-Pyrrolidinedicarboxylic acid, 4-[(2-methylphenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
PS-12651Boc-(R)-|A-(2-methyl-benzyl)-L-prolineCS-0179136F10058F244227(4R)-1-(tert-Butoxycarbonyl)-4-[(2-methylphenyl)methyl]-L-proline
데이터베이스 식별자
- CAS
959578-52-0- PubChem CID
- 2761993
- DTXSID
DTXSID80376018
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 443
물리화학적 성질
- 녹는점
- 92 · 92-94℃
- 끓는 점
- 463.7 · 463.7±38.0 °C(Predicted)
- 밀도
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 3.97 · 3.97±0.40(Predicted)
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