2-(Tert-butoxycarbonyl)octahydrocyclopenta[C]pyrrole-1-carboxylic acid

HCID 53249646CAS 926276-09-7

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CC2CCCC2C1C(=O)O
InChIKey: SFBZDQKMJLUZQF-UHFFFAOYSA-N
분자식: C13H21NO4
평균 분자량: 255.31 g/mol

이름 및 식별자

우선 이름: 2-(Tert-butoxycarbonyl)octahydrocyclopenta[C]pyrrole-1-carboxylic acid
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

이름 및 동의어

1596653-85-82-(TERT-BUTOXYCARBONYL)OCTAHYDROCYCLOPENTA[C]PYRROLE-1-CARBOXYLIC ACIDMFCD08543931597969-42-1926276-09-72-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid2-(tert-Butoxycarbonyl)octahydrocyclopenta[c]pyrrole-1-carboxylicacid(1S,3aR,6aS)-2-(tert-Butoxycarbonyl)octahydrocyclopenta[c]pyrrole-1-carboxylicacidTelaprevir RC 1SCHEMBL1569390(1R,3aS,6aR)-2-[(tert-butoxy)carbonyl]-octahydrocyclopenta[c]pyrrole-1-carboxylic acidSFBZDQKMJLUZQF-UHFFFAOYSA-N

이름 더 보기

2227256-87-12-[(tert-butoxy)carbonyl]-octahydrocyclopenta[c]pyrrole-1-carboxylic acidAKOS027252237AB56469PB43853AS-41720DB-089616CS-0104819

데이터베이스 식별자

CAS: 926276-09-7
PubChem CID: 53249646
EC Number: 175-020-7

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 360

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.