2-((Tert-butoxycarbonyl)amino)-3-methylpentanoic acid

HCID 433623CAS 13139-16-7

기본 정보

표준 SMILES: CCC(C)C(NC(=O)OC(C)(C)C)C(=O)O
InChIKey: QJCNLJWUIOIMMF-UHFFFAOYSA-N
분자식: C11H21NO4
평균 분자량: 231.29 g/mol
단동위원소 질량: 231.14705815

이름 및 식별자

우선 이름: 2-((Tert-butoxycarbonyl)amino)-3-methylpentanoic acid
IUPAC: 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

이름 및 동의어

2-((tert-Butoxycarbonyl)amino)-3-methylpentanoic acidRefChem:450137949-640-02390474-63-0Boc-DL-isoleucineBOC-L-allo-IsoleucineMFCD016057212-{[(tert-butoxy)carbonyl]amino}-3-methylpentanoic acid2-(BOC-AMINO)-3-METHYLPENTANOIC ACID2-(TERT-BUTOXYCARBONYLAMINO)-3-METHYLPENTANOIC ACIDtert-Butoxycarbonylisoleucine97011-05-7

이름 더 보기

tert-Butyloxycarbonylisoleucinetert-Butyloxycarbonyl-L-isoleucineN-tert-Butoxycarbonyl-L-isoleucine(2R,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acidN-(tert-Butyloxycarbonyl)-L-isoleucineBoc-Ile-OH hydrateBOC-(2R,3S)-2-amino-3-methylpentanoic acidN-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine

데이터베이스 식별자

CAS: 13139-16-7
PubChem CID: 433623
EC Number: 949-640-0

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 16
형식 전하: 0
복잡도: 257

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.