carboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium

C8H19N2O2+ — CID 2049076

IUPACcarboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium
SMILESCN(C)CC[N+](C)(C)CC(=O)O
InChIInChI=1S/C8H18N2O2/c1-9(2)5-6-10(3,4)7-8(11)12/h5-7H2,1-4H3/p+1
InChIKeyOYCIJVGBSLBQFS-UHFFFAOYSA-O
MW175.25 g/mol
LogP-0.29
Rot. Bonds5

About carboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium

carboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium (PubChem CID 2049076) has the molecular formula C8H19N2O2+ and a molecular weight of 175.25 g/mol. Its IUPAC name is carboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium.

Molecular Properties

Compound Namecarboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium
PubChem CID2049076
Molecular FormulaC8H19N2O2+
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Namecarboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium
SMILESCN(C)CC[N+](C)(C)CC(=O)O
InChIInChI=1S/C8H18N2O2/c1-9(2)5-6-10(3,4)7-8(11)12/h5-7H2,1-4H3/p+1
InChIKeyOYCIJVGBSLBQFS-UHFFFAOYSA-O
XLogP-0.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 carboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium?
The IUPAC name of carboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium (CID 2049076) is carboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium.
What is the SMILES notation for carboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium?
The canonical SMILES for carboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium is CN(C)CC[N+](C)(C)CC(=O)O.
What is the InChIKey of carboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium?
The InChIKey is OYCIJVGBSLBQFS-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18N2O2/c1-9(2)5-6-10(3,4)7-8(11)12/h5-7H2,1-4H3/p+1.
What are the key properties of carboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium?
carboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium has a molecular weight of 175.25 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium is sourced from PubChem (CID 2049076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).