(3R,4R)-4-아미노-3-히드록시-피페리딘-1-카르복실산tert-부틸에스테르

rac-tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate

HCID 10727458

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1007596-95-3
표준 SMILES: CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H](O)C1
InChIKey: KREUZCYJWPQPJX-HTQZYQBOSA-N
분자식: C10H20N2O3
평균 분자량: 216.28 g/mol
단동위원소 질량: 216.1473925

이름 및 식별자

우선 이름: rac-tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
IUPAC: tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
현지명: (3R,4R)-4-아미노-3-히드록시-피페리딘-1-카르복실산tert-부틸에스테르
영어명: (3R,4R)-4-aMino-3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester
분자식: C10H20N2O3
분자량: 216.28

이름 및 동의어

tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylaterac-tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylateRefChem:8748421,1-Dimethylethyl (3R,4R)-4-amino-3-hydroxy-1-piperidinecarboxylate850-589-0882-763-7443955-98-41007596-95-3TRANS-4-AMINO-1-BOC-3-HYDROXYPIPERIDINE(3R,4R)-tert-Butyl 4-amino-3-hydroxypiperidine-1-carboxylate(3r,4r)-rel-tert-butyl 4-amino-3-hydroxypiperidine-1-carboxylateMFCD18072074

이름 더 보기

(3R,4R)-4-아미노-3-히드록시-피페리딘-1-카르복실산tert-부틸에스테르CPD3650(3R,4R)-4-Amino-1-Boc-piperidin-3-ol(3R,4R)-1-Boc-4-amino-3-hydroxy-piperidinet-Butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylatetert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate-1tert-butyl rel-(3r,4r)-4-amino-3-hydroxypiperidine-1-carboxylate

MFCD184256321-Piperidinecarboxylic acid, 4-amino-3-hydroxy-, 1,1-dimethylethyl ester, (3R,4R)-(3R,4R)-4-Amino-1-boc-3-hydroxypiperidineTert-butyl trans-4-amino-3-hydroxy-piperidine-1-carboxylateTert-butyl (3R,4R)-4-amino-3-hydroxy-piperidine-1-carboxylatetert-butyl (3R,4R)-4-amino-3-hydroxy-1-piperidinecarboxylate(3R,4R)-4-amino-3-hydroxy-piperidine-1-carboxylic acid tert-butyl estertert-butyl (trans-4-amino-3-hydroxypiperidine-1-carboxylate

데이터베이스 식별자

CAS: 1007596-95-3、443955-98-4
PubChem CID: 10727458
DTXSID: DTXSID70444033
EC Number: 850-589-0、882-763-7

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 75.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 237

물리화학적 성질

끓는 점: 326.1 · 326.1±42.0 °C(Predicted)
밀도: 1.142 · 1.142±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 14.37 · 14.37±0.40(Predicted)
InChI: InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7-8,13H,4-6,11H2,1-3H3/t7-,8-/m1/s1
InChIKey: KREUZCYJWPQPJX-HTQZYQBOSA-N
SMILES: N1(C(OC(C)(C)C)=O)CC[C@@H](N)[C@H](O)C1