trimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium

C13H24N3O4+ — CID 3076738

IUPACtrimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium
SMILESC[N+](C)(C)CCOC(=O)CNC(=O)CN1CCCC1=O
InChIInChI=1S/C13H23N3O4/c1-16(2,3)7-8-20-13(19)9-14-11(17)10-15-6-4-5-12(15)18/h4-10H2,1-3H3/p+1
InChIKeyIGTRMTHWKOLYQY-UHFFFAOYSA-O
MW286.35 g/mol
LogP-1.03
Rot. Bonds7

About trimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium

trimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium (PubChem CID 3076738) has the molecular formula C13H24N3O4+ and a molecular weight of 286.35 g/mol. Its IUPAC name is trimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium
PubChem CID3076738
Molecular FormulaC13H24N3O4+
Molecular Weight286.35 g/mol
Exact Mass286.18
IUPAC Nametrimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium
SMILESC[N+](C)(C)CCOC(=O)CNC(=O)CN1CCCC1=O
InChIInChI=1S/C13H23N3O4/c1-16(2,3)7-8-20-13(19)9-14-11(17)10-15-6-4-5-12(15)18/h4-10H2,1-3H3/p+1
InChIKeyIGTRMTHWKOLYQY-UHFFFAOYSA-O
XLogP-1.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium?
The IUPAC name of trimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium (CID 3076738) is trimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium.
What is the SMILES notation for trimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium?
The canonical SMILES for trimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium is C[N+](C)(C)CCOC(=O)CNC(=O)CN1CCCC1=O.
What is the InChIKey of trimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium?
The InChIKey is IGTRMTHWKOLYQY-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H23N3O4/c1-16(2,3)7-8-20-13(19)9-14-11(17)10-15-6-4-5-12(15)18/h4-10H2,1-3H3/p+1.
What are the key properties of trimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium?
trimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium has a molecular weight of 286.35 g/mol, XLogP of -1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium is sourced from PubChem (CID 3076738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).