2-(tripropylazaniumyl)acetate

C11H23NO2 — CID 11481092

IUPAC2-(tripropylazaniumyl)acetate
SMILESCCC[N+](CCC)(CCC)CC(=O)[O-]
InChIInChI=1S/C11H23NO2/c1-4-7-12(8-5-2,9-6-3)10-11(13)14/h4-10H2,1-3H3
InChIKeyMZAVUTOHIPRQTE-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.78
Rot. Bonds8

About 2-(tripropylazaniumyl)acetate

2-(tripropylazaniumyl)acetate (PubChem CID 11481092) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(tripropylazaniumyl)acetate.

Molecular Properties

Compound Name2-(tripropylazaniumyl)acetate
PubChem CID11481092
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(tripropylazaniumyl)acetate
SMILESCCC[N+](CCC)(CCC)CC(=O)[O-]
InChIInChI=1S/C11H23NO2/c1-4-7-12(8-5-2,9-6-3)10-11(13)14/h4-10H2,1-3H3
InChIKeyMZAVUTOHIPRQTE-UHFFFAOYSA-N
XLogP0.78
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Betaine
CID 247
Decyl Betaine
CID 75844
Caprylyl betaine
CID 119668
2-(Triethylammonio)Acetate
CID 11298120
(Tributylazaniumyl)acetate
CID 24181864
Glycine, N,N-dibutyl-, ethyl ester
CID 17537
Carboxymethyl triethylammonium chloride
CID 19873364
Butyl-(carboxymethyl)-dimethylazanium chloride
CID 44366677
N,N-Dipropyl-L-alanine
CID 14274716
Glycine, N,N-diethyl-, sodium salt (1:1)
CID 23670834
2-(Methyl(propyl)amino)acetic acid hydrochloride
CID 50988218
2-(Butyldimethylazaniumyl)acetate
CID 59787792

Frequently Asked Questions

What is the IUPAC name of 2-(tripropylazaniumyl)acetate?
The IUPAC name of 2-(tripropylazaniumyl)acetate (CID 11481092) is 2-(tripropylazaniumyl)acetate.
What is the SMILES notation for 2-(tripropylazaniumyl)acetate?
The canonical SMILES for 2-(tripropylazaniumyl)acetate is CCC[N+](CCC)(CCC)CC(=O)[O-].
What is the InChIKey of 2-(tripropylazaniumyl)acetate?
The InChIKey is MZAVUTOHIPRQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-7-12(8-5-2,9-6-3)10-11(13)14/h4-10H2,1-3H3.
What are the key properties of 2-(tripropylazaniumyl)acetate?
2-(tripropylazaniumyl)acetate has a molecular weight of 201.31 g/mol, XLogP of 0.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tripropylazaniumyl)acetate is sourced from PubChem (CID 11481092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).