(S)-2-((tert-Butoxycarbonyl)amino)-3,3-dimethylbutanoic acid

HCID 2734668CAS 62965-35-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)C
InChIKey: LRFZIPCTFBPFLX-SSDOTTSWSA-N
Summenformel: C11H21NO4
Durchschnittliche Molmasse: 231,29 g/mol

Überblick

N-Boc-L-tert-leucine is a leucine derivative.

Namen und Bezeichner

Bevorzugter Name: (S)-2-((tert-Butoxycarbonyl)amino)-3,3-dimethylbutanoic acid
IUPAC: (2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Namen und Synonyme

N-Boc-L-tert-Leucine(S)-2-((tert-Butoxycarbonyl)amino)-3,3-dimethylbutanoic acidn-tert-butoxycarbonyl-l-tert-leucineL-Valine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-EC 613-118-8L-Valine, N-((1,1-dimethylethoxy)carbonyl)-3-methyl-RefChem:407855613-118-862965-35-9Boc-Tle-OHBoc-L-tert-leucine(s)-n-(tert-butoxycarbonyl)-tert-leucine

Weitere Namen anzeigen

MFCD00065574N-(tert-Butoxycarbonyl)-L-tert-leucineValine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acidSCHEMBL57432(2S)-2-{[(tert-butoxy)carbonyl]amino}-3,3-dimethylbutanoic acidBoc-L-alpha-t-butylglycineAKOS010366207

Datenbank-Bezeichner

CAS: 62965-35-9
PubChem CID: 2734668
ChEMBL: CHEMBL5305116
ChEBI: CHEBI:231585
EC Number: 613-118-8
Nikkaji: J795.977J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 75,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 16
Formalladung: 0
Komplexität: 273

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): 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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.