CAS 167465-99-8 1,1-Dimethylethyl N-((1S,3R)-3-hydroxycyclopentyl)carbamate (HCID 21637081)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 167465-99-8
표준 SMILES: CC(C)(C)OC(=O)N[C@H]1CC[C@@H](O)C1
InChIKey: SBUKINULYZANSP-JGVFFNPUSA-N
분자식: C10H19NO3
평균 분자량: 201.26 g/mol
단동위원소 질량: 201.13649347

개요

See also: (3S,1R)-3-N-Boc-aminocyclopentan-1-ol (annotation moved to).

이름 및 식별자

우선 이름: 1,1-Dimethylethyl N-((1S,3R)-3-hydroxycyclopentyl)carbamate
IUPAC: tert-butyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate
현지명: 카르밤산,[(1S,3R)-3-히드록시시클로펜틸]-,1,1-디메틸에틸에스테르(9CI)
영어명: Carbamic acid, [(1S,3R)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester (9CI)
분자식: C10H19NO3
분자량: 201.26

이름 및 동의어

1,1-Dimethylethyl N-((1S,3R)-3-hydroxycyclopentyl)carbamate1,1-Dimethylethyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamateRefChem:410179167465-99-8tert-Butyl ((1S,3R)-3-hydroxycyclopentyl)carbamateTERT-BUTYL N-[(1S,3R)-3-HYDROXYCYCLOPENTYL]CARBAMATEMFCD11878011Carbamic acid, [(1S,3R)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester (9CI)tert-butyl [(1s,3r)-3-hydroxycyclopentyl]carbamate[(1S,3R)-3-Hydroxycyclopentyl] tert-butyl carbamateREL-TERT-BUTYL ((1R,3S)-3-HYDROXYCYCLOPENTYL)CARBAMATEtert-Butyl((1S,3R)-3-hydroxycyclopentyl)carbamate

이름 더 보기

카르밤산,[(1S,3R)-3-히드록시시클로펜틸]-,1,1-디메틸에틸에스테르(9CI)(1R,3S)-3-aminocyclopentan-1-oltert-Butyl ((1S,3R)Bictegravir Impurity 2621(1R,3S)-3-amino-1-cyclopentanolBenzoicacid,6-ethynyl-,methylestercis-tert-butyl-3-hydroxycyclopentylcarbamate(1S,3R)-tert-butyl(3-hydroxycyclopentyl)catbaMte(1S,3R)-3-Hydroxycyclopentyl] tert-butyl carbamate

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 58.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 210

물리화학적 성질

끓는 점: 321 ℃ · 321℃
밀도: 1.08 · 1.08
인화점: 148 ℃ · 148℃
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 12.27 · 12.27±0.40(Predicted)
InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-7-4-5-8(12)6-7/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8+/m0/s1
InChIKey: SBUKINULYZANSP-JGVFFNPUSA-N
SMILES: C(OC(C)(C)C)(=O)N[C@H]1CC[C@@H](O)C1