carboxymethyl(trimethyl)azanium;pyridine

C10H17N2O2+ — CID 173162206

IUPACcarboxymethyl(trimethyl)azanium;pyridine
SMILESC[N+](C)(C)CC(=O)O.c1ccncc1
InChIInChI=1S/C5H11NO2.C5H5N/c1-6(2,3)4-5(7)8;1-2-4-6-5-3-1/h4H2,1-3H3;1-5H/p+1
InChIKeyWOPASXADQYOPKU-UHFFFAOYSA-O
MW197.26 g/mol
LogP0.86
Rot. Bonds2

About carboxymethyl(trimethyl)azanium;pyridine

carboxymethyl(trimethyl)azanium;pyridine (PubChem CID 173162206) has the molecular formula C10H17N2O2+ and a molecular weight of 197.26 g/mol. Its IUPAC name is carboxymethyl(trimethyl)azanium;pyridine.

Molecular Properties

Compound Namecarboxymethyl(trimethyl)azanium;pyridine
PubChem CID173162206
Molecular FormulaC10H17N2O2+
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Namecarboxymethyl(trimethyl)azanium;pyridine
SMILESC[N+](C)(C)CC(=O)O.c1ccncc1
InChIInChI=1S/C5H11NO2.C5H5N/c1-6(2,3)4-5(7)8;1-2-4-6-5-3-1/h4H2,1-3H3;1-5H/p+1
InChIKeyWOPASXADQYOPKU-UHFFFAOYSA-O
XLogP0.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.86
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carboxymethyl(trimethyl)azanium;pyridine?
The IUPAC name of carboxymethyl(trimethyl)azanium;pyridine (CID 173162206) is carboxymethyl(trimethyl)azanium;pyridine.
What is the SMILES notation for carboxymethyl(trimethyl)azanium;pyridine?
The canonical SMILES for carboxymethyl(trimethyl)azanium;pyridine is C[N+](C)(C)CC(=O)O.c1ccncc1.
What is the InChIKey of carboxymethyl(trimethyl)azanium;pyridine?
The InChIKey is WOPASXADQYOPKU-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NO2.C5H5N/c1-6(2,3)4-5(7)8;1-2-4-6-5-3-1/h4H2,1-3H3;1-5H/p+1.
What are the key properties of carboxymethyl(trimethyl)azanium;pyridine?
carboxymethyl(trimethyl)azanium;pyridine has a molecular weight of 197.26 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl(trimethyl)azanium;pyridine is sourced from PubChem (CID 173162206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).