N-(tert-Butoxycarbonyl)-L-cyclohexylglycine

HCID 7004938

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 109183-71-3
표준 SMILES: CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CCCCC1
InChIKey: QSUXZIPXYDQFCX-JTQLQIEISA-N
분자식: C13H23NO4
평균 분자량: 257.33 g/mol
단동위원소 질량: 257.16270822

개요

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이름 및 식별자

우선 이름: N-(tert-Butoxycarbonyl)-L-cyclohexylglycine
IUPAC: (2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
영어명: Boc-L-Cyclohexylglycine
분자식: C13H23NO4
분자량: 257.33

이름 및 동의어

RefChem:828686N-(tert-Butoxycarbonyl)-L-cyclohexylglycine109183-71-3Boc-L-cyclohexylglycineBoc-Chg-OHn-boc-l-cyclohexylglycineBoc-L-alpha-cyclohexylglycine(S)-2-((tert-Butoxycarbonyl)amino)-2-cyclohexylacetic acidMFCD00133638N-Boc-2-Cyclohexyl-L-glycine(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acidBoc-(L)-Chg-OH

이름 더 보기

BOC-CHG-OH H2OCAS:109183-71-3BOC-CYCLOHEXYL-GLY-OHBOC-PHG(HEXAHYDRO)-OHBOC-CYCLOHEXYL-GLYCINEBoc-L-CyclohexyglycineBoc-cyclohexyl-L-Gly-OHBoc?L?cyclohexyl?Gly?OH

(2S)-[(tert-butoxycarbonyl)amino](cyclohexyl)acetic acidboc-l-a-cyclohexylglycine(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclohexylacetic acidBoc-L-|A-CyclohexylglycineHY-W002410(s)-2-(tert-butoxycarbonylamino)-2-cyclohexylacetic acid(2S)-[(tert-butoxycarbonyl)amino](cyclohexyl)ethanoic acidN-(tert-Butoxycarbonyl)-L-2-cyclohexylglycine

데이터베이스 식별자

CAS: 109183-71-3
PubChem CID: 7004938
DTXSID: DTXSID80426481
ChEMBL: CHEMBL4950952
Nikkaji: J2.376.806B

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 18
형식 전하: 0
복잡도: 303

물리화학적 성질

녹는점: 83 °C · 83°C(lit.)
끓는 점: 407.9 · 407.9±28.0 °C(Predicted)
밀도: 1.111 · 1.111±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 4.01 · 4.01±0.10(Predicted)
물리적 상태: 액체
색상: 무색~담황색 투명
수용성: 물에 약간 용해됩니다.
BRN: 5553687 · 5553687
주요 응용: 펩타이드 합성
InChI: InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/s3
InChIKey: QSUXZIPXYDQFCX-JTQLQIEISA-N
SMILES: C1(CCCCC1)[C@@H](C(=O)O)NC(=O)OC(C)(C)C |&1:6,r|