Grundinformationen
- CAS
13184-27-5- Standard-SMILES
NC(=O)N[C@@H](CC(=O)O)C(=O)O- InChIKey
HLKXYZVTANABHZ-REOHCLBHSA-N- Summenformel
- C5H8N2O5
- Durchschnittliche Molmasse
- 176,13 g/mol
- Monoisotopische Masse
- 176,04332136
Überblick
N-carbamoyl-L-aspartic acid is the L-enantiomer N-carbamoylaspartic acid. It has a role as a metabolite. It is a N-carbamoyl-L-amino acid, a N-carbamoylaspartic acid and a L-aspartic acid derivative. It is a conjugate acid of a N-carbamoyl-L-aspartate(2-).
Namen und Bezeichner
- Bevorzugter Name
- N-carbamoylaspartic acid
- IUPAC
- (2S)-2-(carbamoylamino)butanedioic acid
- Lokaler Name
- N-Carbamoylasparaginsure
- Englischer Name
- Carbamoyl-Asp-OH magnesium salt/carbamoyl-Asp-OH dipotassium salt (1:1)
- Summenformel
- C5H8N2O5
- Molmasse
- 176.13
Namen und Synonyme
N-Carbamoyl-L-aspartic acid13184-27-5N-Carbamoylaspartic acidL-Ureidosuccinic acidUreidosuccinateCarbamoylaspartic acidN-Carbamoyl-S-aspartic acidCarbamyl-L-aspartic acidL-N-Carbamoylaspartic acidSuccinic acid, ureido-Carbamylaspartic acidAspartic acid, N-carbamoyl-
Weitere Namen anzeigen
N-carbamoyl-L-aspartate(2S)-2-(carbamoylamino)butanedioic acidl-asparticaciCarbamoyl-Asp-OHN-Carbamoyl-L-Asp-OHcarbamylasparticacidl-ureidosuccinicacidcarbamoylasparticacid
2-Ureidobutanedioic acidL-Aspartic acid, N-(aminocarbonyl)-EINECS 236-134-3NSC 14983N-(aminocarbonyl)-L-aspartic acidR2521024DKN-CARBAMYLASPARTIC ACIDCHEBI:15859
Datenbank-Bezeichner
- CAS
13184-27-5
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,9
- Polarare Oberfläche (TPSA)
- 130 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 214
Experimentelle und physikochemische Eigenschaften
Chemical ClassesBiological Agents -> Amino Acids and Derivatives
DrugsPharmaceuticals -> Listed in ZINC15
Solubility3.7 mg/mL
Melting Point174 - 175 °C
Physical DescriptionSolid
Collision Cross Section139.1 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physikochemische Eigenschaften
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Solid
- Farbe
- White to off-white
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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.
Gefahrenhinweise
Hazards SummarySee Aspartic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsProstate
Cellular LocationsCytoplasm
Metabolite PathwaysAspartate Metabolism
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