2-(((Tert-butoxy)carbonyl)amino)-3-cyclopropylpropanoic acid

HCID 4712522

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Grundinformationen

CAS: 888323-62-4
Standard-SMILES: CC(C)(C)OC(=O)NC(CC1CC1)C(=O)O
InChIKey: GKRRTFCDSZGFSZ-UHFFFAOYSA-N
Summenformel: C11H19NO4
Durchschnittliche Molmasse: 229,27 g/mol
Monoisotopische Masse: 229,13140809

Namen und Bezeichner

Bevorzugter Name: 2-(((Tert-butoxy)carbonyl)amino)-3-cyclopropylpropanoic acid
IUPAC: 3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Englischer Name: N-Boc-cyclopropyl-DL-alanine
Summenformel: C11H19NO4
Molmasse: 229.27

Namen und Synonyme

2-{[(tert-butoxy)carbonyl]amino}-3-cyclopropylpropanoic acid2-(((Tert-butoxy)carbonyl)amino)-3-cyclopropylpropanoic acidRefChem:447130675-900-5888323-62-4N-Boc-cyclopropyl alanine2-((tert-Butoxycarbonyl)amino)-3-cyclopropylpropanoic acidN-BOC-CYCLOPROPYL-DL-ALANINEboc-3-cyclopropylalanineDL-Boc-cyclopopylalanineMFCD080612393-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid

Weitere Namen anzeigen

N-(tert-butoxycarbonyl)-3-cyclopropylalanine2-(tert-butoxycarbonylaMino)-3-cyclopropylpropanoic acid2-(1-(tert-butoxycarbonyl)cyclopropylamino)propanoic acid2-{[(tert-butoxy)carbonyl](cyclopropyl)amino}propanoic acidCyclopropanepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-

BOC-L-Cyclopropylalanine(2R)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidref dupl: n-boc-cyclopropyl alanineboc-l-ala(3-cyclopropyl)DL-Boc-3-CyclopropylalanineSCHEMBL956167(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-cyclopropylpropanoic acidN-Boc-RS-3-Cyclopropylalanine

Datenbank-Bezeichner

CAS: 888323-62-4、89483-08-9
PubChem CID: 4712522
DTXSID: DTXSID90405727
EC Number: 182-998-9、675-900-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 75,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 6
Schwere Atome: 16
Formalladung: 0
Komplexität: 278

Physikochemische Eigenschaften

Siedepunkt: 377.2 · 377.2±25.0 °C(Predicted)
Dichte: 1.162 · 1.162±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 4 · 4.00±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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)

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.