{2-[(3-carboxypropanoyl)oxy]ethyl}trimethylazanium

• ChemBase ID: 129641
• Molecular Formular: C9H18NO4+
• Molecular Mass: 204.24352
• Monoisotopic Mass: 204.12358306
• SMILES: O=C(O)CCC(=O)OCC[N+](C)(C)C
• Canonical SMILES: OC(=O)CCC(=O)OCC[N+](C)(C)C
• InChI: InChI=1S/C9H17NO4/c1-10(2,3)6-7-14-9(13)5-4-8(11)12/h4-7H2,1-3H3/p+1
• InChIKey: JQLBLDAELQDYMK-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(3-carboxypropanoyl)oxy]ethyl}trimethylazanium
• IUPAC Traditional name: succinylmonocholine
• Synonyms: Succinylmonocholine

Database IDs

• CAS Number: 5518-77-4
• PubChem SID: 162223930
• PubChem CID: 160784
• Chemspider ID: 141273
• MeSH Name: Succinylmonocholine
• Wikipedia Title: Succinylmonocholine

CALCULATED PROPERTIES

• Acid pKa: 4.122181
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.640498
• LogD (pH = 7.4): -3.6259387
• Log P: -4.3962812
• Molar Refractivity: 62.2388 cm^3
• Polarizability: 20.135317 Å^3
• Polar Surface Area: 63.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true