CAS 87694-50-6 (S)-N-methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide (HCID 11119284)

기본 정보

CAS: 87694-50-6
표준 SMILES: CON(C)C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C
InChIKey: IKRXSZUARJIXLZ-JTQLQIEISA-N
분자식: C13H26N2O4
평균 분자량: 274.36 g/mol
단동위원소 질량: 274.18925731

이름 및 식별자

우선 이름: (S)-N-methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide
IUPAC: tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
영어명: Boc-L-leucine N,O-dimethylhydroxamide
분자식: C13H26N2O4
분자량: 274.36

이름 및 동의어

(S)-N-Methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide1,1-Dimethylethyl N-((1S)-1-((methoxymethylamino)carbonyl)-3-methylbutyl)carbamate1,1-Dimethylethyl N-[(1S)-1-[(methoxymethylamino)carbonyl]-3-methylbutyl]carbamateRefChem:408200800-127-9MFCD00151875Boc-L-Leucine N,O-Dimethylhydroxamide(S)-TERT-BUTYL (1-(METHOXY(METHYL)AMINO)-4-METHYL-1-OXOPENTAN-2-YL)CARBAMATEN-Boc-L-leucine N'-Methoxy-N'-methylamideTERT-BUTYL N-[(1S)-1-[METHOXY(METHYL)CARBAMOYL]-3-METHYLBUTYL]CARBAMATE[(1S)-1-[(Methoxymethylamino)carbonyl]-3-methylbutyl]-carbamic Acid 1-Dimethylethyl Ester; [1-[(Methoxymethylamino)carbonyl]-3-methylbutyl]-carbamic Acid 1-Dimethylethyl Ester; (S)-N-Methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide; N-[(1S)-1-[(Methoxymethylamino)carbonyl]-3-methylbutyl]-carbamic Acid 1-Dimethylethyl Ester;Boc-L-Leu-N(OMe)Me

이름 더 보기

Boc-Leu-NBOC-LEU-N(OME)MEBOC-LEU-NME(OME)Boc-L-leucine N'-Methoxy-N'-methylamideBoc-L-leucineN,O-dimethylhydroxamide≥ 99% (HPLC)N-(tert-butoxycarbonyl)-L-leucine N'-methoxy-N'-M

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 67.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 19
형식 전하: 0
복잡도: 310

물리화학적 성질

끓는 점: 235 °C · 235 °C(lit.)
밀도: 1.46 g/mL · 1.46 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.454(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 11.19 · 11.19±0.46(Predicted)
물리적 상태: Liquid
색상: Colorless to light yellow
InChI: InChI=1/C13H26N2O4/c1-9(2)8-10(11(16)15(6)18-7)14-12(17)19-13(3,4)5/h9-10H,8H2,1-7H3,(H,14,17)/t10-/s3
InChIKey: IKRXSZUARJIXLZ-JQHDBZEONA-N
SMILES: C(OC(C)(C)C)(=O)N[C@H](C(N(OC)C)=O)CC(C)C |&1:8,r|