Grundinformationen
- Standard-SMILES
CC(=O)N1CCC[C@H]1C(=O)O- InChIKey
GNMSLDIYJOSUSW-LURJTMIESA-N- Summenformel
- C7H11NO3
- Durchschnittliche Molmasse
- 157,17 g/mol
- Monoisotopische Masse
- 157,07389321
Überblick
N-acetyl-L-proline is a N-acetyl-L-amino acid, a pyrrolidinemonocarboxylic acid, a N-acylpyrrolidine and a L-proline derivative.
Namen und Bezeichner
- Bevorzugter Name
- N-Acetyl-L-proline
- IUPAC
- (2S)-1-acetylpyrrolidine-2-carboxylic acid
Namen und Synonyme
N-Acetyl-L-proline68-95-11-Acetyl-L-prolineAcetyl prolineL-Proline, 1-acetyl-(2S)-1-acetylpyrrolidine-2-carboxylic acid(S)-1-acetylpyrrolidine-2-carboxylic acidProline, 1-acetyl-, L-(s)-n-acetylprolineCC8XZ138VZ(S)-(-)-N-acetylprolineCHEBI:21560
Weitere Namen anzeigen
NSC-280718DTXSID00910312RefChem:552461DTXCID301339360200-698-9Ac-Pro-OHN-AcetylprolineAcetylproline
Datenbank-Bezeichner
- CAS
1074-79-9、68-95-1- PubChem CID
- 66141
- DTXSID
DTXSID00910312- ChEMBL
CHEMBL1234599、CHEMBL1881755- ChEBI
CHEBI:21560- UNII
- CC8XZ138VZ
- EC Number
- 200-698-9
- Nikkaji
- J25.970E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,7
- Polarare Oberfläche (TPSA)
- 57,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 190
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
CosmeticsCosmetic ingredients (Acetyl Proline) -> CIR (Cosmetic Ingredient Review)
Solubility>23.6 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section
136.9 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
128.65 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
133.7 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxikologische Informationen
Toxicity Summary
The panel concluded that the 115 amino acid alkyl amides listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Acetyl Proline
Safe for use in cosmetics, with qualifications
Chemie und Industrie
Verwendung und Herstellung
UsesCIR ingredient: Acetyl Proline
Zugehörige Reaktionen
12
Verknüpfte Notizen
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